[ { "id": "https://authors.library.caltech.edu/records/92zn0-wek82", "eprint_id": 121437, "eprint_status": "archive", "datestamp": "2023-08-20 06:57:42", "lastmod": "2023-10-23 15:22:14", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Sun-Qiang", "name": { "family": "Sun", "given": "Qiang" }, "orcid": "0000-0002-4589-8040" }, { "id": "Oliveira-Nicholas-J", "name": { "family": "Oliveira", "given": "Nicholas J." } }, { "id": "Kwon-Soonho", "name": { "family": "Kwon", "given": "Soonho" }, "orcid": "0000-0002-9225-3018" }, { "id": "Tyukhtenko-Sergiy", "name": { "family": "Tyukhtenko", "given": "Sergiy" }, "orcid": "0000-0002-0446-9979" }, { "id": "Guo-Jason J.", "name": { "family": "Guo", "given": "Jason J." } }, { "id": "Myrthil-Nathalie", "name": { "family": "Myrthil", "given": "Nathalie" } }, { "id": "Lopez-Steven-A", "name": { "family": "Lopez", "given": "Steven A." }, "orcid": "0000-0002-8418-3638" }, { "id": "Kendrick-Ian", "name": { "family": "Kendrick", "given": "Ian" } }, { "id": "Mukerjee-Sanjeev", "name": { "family": "Mukerjee", "given": "Sanjeev" }, "orcid": "0000-0002-2980-7655" }, { "id": "Ma-Lu", "name": { "family": "Ma", "given": "Lu" }, "orcid": "0000-0001-9646-0738" }, { "id": "Ehrlich-Steven-N", "name": { "family": "Ehrlich", "given": "Steven N." }, "orcid": "0000-0002-4570-8833" }, { "id": "Li-Jingkun", "name": { "family": "Li", "given": "Jingkun" } }, { "id": "Goddard-W-A-III", "name": { "family": "Goddard", "given": "William A., III" }, "orcid": "0000-0003-0097-5716" }, { "id": "Yan-Yushan", "name": { "family": "Yan", "given": "Yushan" }, "orcid": "0000-0001-6616-4575" }, { "id": "Jia-Qingying", "name": { "family": "Jia", "given": "Qingying" }, "orcid": "0000-0002-4005-8894" } ] }, "title": "Understanding hydrogen electrocatalysis by probing the hydrogen-bond network of water at the electrified Pt/solution interface", "ispublished": "unpub", "full_text_status": "public", "note": "CC BY NC ND 4.0 License. \n\nThis work was supported by the Office of Naval Research (ONR) grant N000141712608 (Q.J.) This research used beamline 7-BM (QAS) of the National Synchrotron Light Source II, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory Contract DE-SC0012704. Beamline operations were supported in part by the Synchrotron Catalysis Consortium Grant DE-SC0012335. W.A.G. acknowledges support by the Liquid Sunlight Alliance, which is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Fuels from Sunlight Hub under Award Number DE-SC0021266.; This work used the Extreme Science and Engineering Discovery Environment (XSEDE) for AIMD simulation, which is supported by the NSF grant number ACI-1548562. S.K. acknowledges support from the Resnick Sustainability Institute at Caltech.\n\n
Supplemental Material - understanding-hydrogen-electrocatalysis-by-probing-the-hydrogen-bond-network-of-water-at-the-electrified-pt-solution-interface.pdf
", "abstract": "A grand challenge in electrochemistry is to understand and promote electrochemical processes by exploring and exploiting the interface. Herein, we promoted the hydrogen evolution and oxidation reactions (HER/HOR) of platinum in base by employing N-methylimidazoles to reorientate interfacial water against the interfacial electric field as evidenced by in situ spectroscopic characterization of the interface. We accordingly established a unified mechanism by which the HER/HOR in acid and base proceeds via diffusion of proton and hydroxide, respectively, through interface via interfacial water by the Grotthuss mechanism. This mechanism accounts for the pH-dependent HER/HOR kinetics of platinum, a long-standing puzzle. Furthermore, we demonstrated 40% performance improvement of an anion exchange membrane electrolyzer by adding 1,2-dimethylimidazole into the alkaline solution fed into its Pt cathode.", "date": "2023-05-19", "date_type": "published", "id_number": "CaltechAUTHORS:20230519-503348000.1", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20230519-503348000.1", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Office of Naval Research (ONR)", "grant_number": "N000141712608" }, { "agency": "Department of Energy (DOE)", "grant_number": "DE-SC0012704" }, { "agency": "Department of Energy (DOE)", "grant_number": "DE-SC0012335" }, { "agency": "Department of Energy (DOE)", "grant_number": "DE-SC0021266" }, { "agency": "NSF", "grant_number": "ACI-1548562" }, { "agency": "Resnick Sustainability Institute" } ] }, "local_group": { "items": [ { "id": "Liquid-Sunlight-Alliance" }, { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.26434/chemrxiv-2021-gks2k", "primary_object": { "basename": "understanding-hydrogen-electrocatalysis-by-probing-the-hydrogen-bond-network-of-water-at-the-electrified-pt-solution-interface.pdf", "url": "https://authors.library.caltech.edu/records/92zn0-wek82/files/understanding-hydrogen-electrocatalysis-by-probing-the-hydrogen-bond-network-of-water-at-the-electrified-pt-solution-interface.pdf" }, "pub_year": "2023", "author_list": "Sun, Qiang; Oliveira, Nicholas J.; et el." }, { "id": "https://authors.library.caltech.edu/records/ev6be-e3s21", "eprint_id": 120407, "eprint_status": "archive", "datestamp": "2023-08-20 16:43:57", "lastmod": "2023-10-18 16:09:12", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Cagan-David-A", "name": { "family": "Cagan", "given": "David A." }, "orcid": "0000-0002-4719-2789" }, { "id": "B\u00edm-Daniel", "name": { "family": "B\u00edm", "given": "Daniel" }, "orcid": "0000-0003-3100-4293" }, { "id": "McNicholas-Brendon-J", "name": { "family": "McNicholas", "given": "Brendon J." }, "orcid": "0000-0002-3654-681X" }, { "id": "Kazmierczak-Nathanael-P", "name": { "family": "Kazmierczak", "given": "Nathanael P." }, "orcid": "0000-0002-7822-6769" }, { "id": "Oyala-Paul-H", "name": { "family": "Oyala", "given": "Paul H." }, "orcid": "0000-0002-8761-4667" }, { "id": "Hadt-R-G", "name": { "family": "Hadt", "given": "Ryan G." }, "orcid": "0000-0001-6026-1358" } ] }, "title": "Photogenerated Ni(I)\u2013Bipyridine Halide Complexes: Structure-Function Relationships for Competitive C(sp\u00b2)\u2013Cl Oxidative Addition and Dimerization Reactivity Pathways", "ispublished": "unpub", "full_text_status": "public", "note": "The content is available under CC BY NC ND 4.0 License. \n\nD.A.C. is a National Science Foundation Graduate Research Fellow (DGE-1745301) and is supported by a National Academies of Science, Engineering, and Medicine Ford Foundation Predoctoral Fellowship. This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No. 883987 (D.B.). N.P.K. acknowledges support from the Hertz Fellowship and from the National Science Foundation Graduate Research Fellowship under Grant No. DGE-1745301. The Caltech EPR facility acknowledges support from the Beckman Institute and the Dow Next Generation Educator Fund. Support has been provided by the National Institutes of Health (National Institute of General Medical Sciences, R35-GM142595). The computations presented here were conducted in the Resnick High Performance Computing Center, a facility supported by Resnick Sustainability Institute at the California Institute of Technology.\n\nThe authors declare no competing financial interest.\n\nSupplemental Material - supporting-information.pdf
", "abstract": "We report the facile photochemical generation of a library of Ni(I)\u2013bpy halide complexes (Ni(I)(\u1d3fbpy)X (R = t-Bu, H, MeOOC; X = Cl, Br, I) and benchmark their relative reactivity toward competitive oxidative addition and off-cycle dimerization pathways. Structure-function relationships between ligand set and reactivity are developed, with a particular emphasis on rationalizing previously uncharacterized ligand-controlled reactivity toward high energy and challenging C(sp\u00b2)\u2013Cl bonds. Through a dual Hammett and computational analysis, the mechanism of the formal oxidative addition is found to proceed through an SNAr-type pathway, consisting of a nucleophilic two-electron transfer between the Ni(I) 3d(z\u00b2) orbital and the C_(aryl)\u2013Cl \u03c3* orbital, which contrasts the mechanism previously observed for activation of weaker C(sp\u00b2)\u2013Br/I bonds. The bpy substituent provides a strong influence on reactivity, ultimately determining whether oxidative addition or dimerization even occur. Here we elucidate the origin of this substituent influence as arising from perturbations to the effective nuclear charge (Zeff) of the Ni(I) center. Electron donation to the metal decreases Zeff, which leads to a significant destabilization of the entire 3d orbital manifold. Decreasing the 3d(z\u00b2) electron binding energies leads to a powerful two-electron donor to activate strong C(sp\u00b2)\u2013Cl bonds. These changes also prove to have an analogous effect on dimerization, with decreases in Zeff leading to more rapid dimerization. Ligand-induced modulation of Zeff and the 3d(z\u00b2) orbital energy is thus a tunable target by which the reactivity of Ni(I) complexes can be altered, providing a direct route to stimulate reactivity with even stronger C\u2013X bonds and potentially unveiling new ways to accomplish Ni-mediated photocatalytic cycles.", "date": "2023-03-30", "date_type": "published", "id_number": "CaltechAUTHORS:20230324-457164000.12", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20230324-457164000.12", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "NSF Graduate Research Fellowship", "grant_number": "DGE-1745301" }, { "agency": "National Academy of Sciences" }, { "agency": "Ford Foundation" }, { "agency": "Marie Curie Fellowship", "grant_number": "883987" }, { "agency": "Fannie and John Hertz Foundation" }, { "agency": "Caltech Beckman Institute" }, { "agency": "Dow Next Generation Educator Fund" }, { "agency": "NIH", "grant_number": "R35-GM142595" }, { "agency": "Resnick Sustainability Institute" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.26434/chemrxiv-2023-crhs5", "primary_object": { "basename": "photogenerated-ni-i-bipyridine-halide-complexes-structure-function-relationships-for-competitive-c-sp2-cl-oxidative-addition-and-dimerization-reactivity-pathways.pdf", "url": "https://authors.library.caltech.edu/records/ev6be-e3s21/files/photogenerated-ni-i-bipyridine-halide-complexes-structure-function-relationships-for-competitive-c-sp2-cl-oxidative-addition-and-dimerization-reactivity-pathways.pdf" }, "related_objects": [ { "basename": "supporting-information.pdf", "url": "https://authors.library.caltech.edu/records/ev6be-e3s21/files/supporting-information.pdf" } ], "pub_year": "2023", "author_list": "Cagan, David A.; B\u00edm, Daniel; et el." }, { "id": "https://authors.library.caltech.edu/records/x6vtx-82q67", "eprint_id": 120380, "eprint_status": "archive", "datestamp": "2023-08-20 16:41:16", "lastmod": "2023-10-18 16:07:49", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Watkins-Nicholas-B", "name": { "family": "Watkins", "given": "Nicholas B." }, "orcid": "0000-0001-7251-9387" }, { "id": "Schiffer-Zachary-J", "name": { "family": "Schiffer", "given": "Zachary J." }, "orcid": "0000-0001-6069-8613" }, { "id": "Lai-Yungchieh", "name": { "family": "Lai", "given": "Yungchieh" }, "orcid": "0000-0001-9392-1447" }, { "id": "Musgrave-Charles-B-III", "name": { "family": "Musgrave", "given": "Charles B., III" }, "orcid": "0000-0002-3432-0817" }, { "id": "Atwater-H-A", "name": { "family": "Atwater", "given": "Harry A." }, "orcid": "0000-0001-9435-0201" }, { "id": "Goddard-W-A-III", "name": { "family": "Goddard", "given": "William A., III" }, "orcid": "0000-0003-0097-5716" }, { "id": "Agapie-T", "name": { "family": "Agapie", "given": "Theodor" }, "orcid": "0000-0002-9692-7614" }, { "id": "Peters-J-C", "name": { "family": "Peters", "given": "Jonas" }, "orcid": "0000-0002-6610-4414" }, { "id": "Gregoire-J-M", "name": { "family": "Gregoire", "given": "John M." }, "orcid": "0000-0002-2863-5265" } ] }, "title": "Hydrodynamics Determine Tafel Slopes in Electrochemical CO\u2082 Reduction on Copper", "ispublished": "unpub", "full_text_status": "public", "note": "The content is available under CC BY NC 4.0 License. \n\nThis material is based on work\tperformed by the Liquid Sun-light Alliance, which is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Fuels from Sunlight Hub under Award Number DE-SC0021266. The Resnick Sustainability Institute at Caltech is acknowledged for its\tsupport of enabling infrastructure and facilities. We thank Dr. Ian Sullivan for many productive conversations and Annette Boehme for initial insights into COMSOL calculations of the cells investigated. \n\nThe authors declare no competing financial interests.\n\nSubmitted - hydrodynamics-determine-tafel-slopes-in-electrochemical-co2-reduction-on-copper.pdf
Supplemental Material - supplementary-materials.pdf
", "abstract": "The hydrodynamics of electrochemical CO\u2082 reduction (CO\u2082) systems is an insufficiently investigated area of research that has broad implications on catalyst activity and selectivity. While most previous reports are limited to laminar and CO\u2082-sparged systems, herein we address a wide range of hydrodynamics via electrolyte recirculation systems. We find that increased hydrodynamics at the electrode surface results directly in changes to the ethylene and methane Tafel slopes, demonstrating that mass transport is on equal footing with catalyst active sites in determining reaction mechanisms and the ensuing product distribution. Mass transport is traditionally considered to be in the purview of systems-level engineering, yet the present work shows that CO\u2082R mechanistic work must be considered in the context of the mass transport conditions. We extend our analysis to organic coatings, demonstrating that the films shield the active sites from variability in hydrodynamics and increase the residence time of CO so that it may be further reduced to desirable products.", "date": "2023-03-29", "date_type": "published", "id_number": "CaltechAUTHORS:20230324-864199000.4", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20230324-864199000.4", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Department of Energy (DOE)", "grant_number": "DE-SC0021266" }, { "agency": "Resnick Sustainability Institute" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" }, { "id": "Liquid-Sunlight-Alliance" } ] }, "doi": "10.26434/chemrxiv-2023-npdmn", "primary_object": { "basename": "hydrodynamics-determine-tafel-slopes-in-electrochemical-co2-reduction-on-copper.pdf", "url": "https://authors.library.caltech.edu/records/x6vtx-82q67/files/hydrodynamics-determine-tafel-slopes-in-electrochemical-co2-reduction-on-copper.pdf" }, "related_objects": [ { "basename": "supplementary-materials.pdf", "url": "https://authors.library.caltech.edu/records/x6vtx-82q67/files/supplementary-materials.pdf" } ], "pub_year": "2023", "author_list": "Watkins, Nicholas B.; Schiffer, Zachary J.; et el." }, { "id": "https://authors.library.caltech.edu/records/t1y8g-03z18", "eprint_id": 120121, "eprint_status": "archive", "datestamp": "2023-08-20 16:43:03", "lastmod": "2023-10-25 16:53:18", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Zhang-Yide", "name": { "family": "Zhang", "given": "Yide" }, "orcid": "0000-0002-9463-3970" }, { "id": "Hu-Peng", "name": { "family": "Hu", "given": "Peng" }, "orcid": "0000-0002-2933-1239" }, { "id": "Li-Lei", "name": { "family": "Li", "given": "Lei" }, "orcid": "0000-0001-6164-2646" }, { "id": "Cao-Rui", "name": { "family": "Cao", "given": "Rui" }, "orcid": "0000-0003-4444-7528" }, { "id": "Khadria-Anjul", "name": { "family": "Khadria", "given": "Anjul" }, "orcid": "0000-0002-9771-3650" }, { "id": "Maslov-Konstantin-I", "name": { "family": "Maslov", "given": "Konstantin" }, "orcid": "0000-0003-3408-8840" }, { "id": "Tong-Xin", "name": { "family": "Tong", "given": "Xin" } }, { "id": "Zeng-Yushun", "name": { "family": "Zeng", "given": "Yushun" }, "orcid": "0000-0001-5995-4085" }, { "id": "Jiang-Laiming", "name": { "family": "Jiang", "given": "Laiming" }, "orcid": "0000-0002-8658-3168" }, { "id": "Zhou-Qifa", "name": { "family": "Zhou", "given": "Qifa" }, "orcid": "0000-0003-1527-3020" }, { "id": "Wang-Lihong-V", "name": { "family": "Wang", "given": "Lihong V." }, "orcid": "0000-0001-9783-4383" } ] }, "title": "Single-shot 3D photoacoustic tomography using a single-element detector for ultrafast imaging of hemodynamics", "ispublished": "unpub", "full_text_status": "public", "note": "The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY-NC-ND 4.0 International license. \n\nWe thank Yanyu Zhao for contributing to the universal calibration. This work was supported in part by National Institutes of Health grants R01 EB028277, U01 EB029823, and R35 CA220436 (Outstanding Investigator Award). The computations presented here were conducted in the Resnick High Performance Computing Center, a facility supported by Resnick Sustainability Institute at the California Institute of Technology. \n\nAuthor contributions. Y.Zhang and L.V.W. conceived and designed the study. Y.Zhang, L.L., R.C., and K.M. built the imaging system. Y.Zhang developed the data acquisition program. P.H. developed the 3D reconstruction algorithm. Y.Zhang, L.L., R.C., and A.K. performed the experiments. Y.Zhang, P.H., and X.T. processed and analyzed the data. Y.Zeng, L.J., and Q.Z. fabricated the ultrasonic transducer. L.V.W. supervised the study. All authors contributed to the writing of the manuscript. \n\nData availability. The main data supporting the results in this study are available within the paper and its Supplementary Information. Other data are too large to be publicly shared, yet they are available for research purposes from the corresponding author on reasonable request. \n\nCode availability. The reconstruction code, the system control software, and the data collection software are proprietary and used in licensed technologies, yet they are available from the corresponding author upon reasonable request. \n\nCompeting Interest Statement. L.V.W. has a financial interest in Microphotoacoustics Inc., CalPACT LLC, and Union Photoacoustic Technologies Ltd., which, however, did not support this work. K.M. has a financial interest in Microphotoacoustics, Inc. The other authors declare no competing interests.\n\nSubmitted - 2023.03.14.532661v1.full.pdf
Supplemental Material - media-1.mp4
Supplemental Material - media-10.mp4
Supplemental Material - media-11.mp4
Supplemental Material - media-12.mp4
Supplemental Material - media-2.mp4
Supplemental Material - media-3.mp4
Supplemental Material - media-4.mp4
Supplemental Material - media-5.mp4
Supplemental Material - media-6.mp4
Supplemental Material - media-7.mp4
Supplemental Material - media-8.mp4
Supplemental Material - media-9.mp4
", "abstract": "Imaging hemodynamics is crucial for the diagnosis, treatment, and prevention of vascular diseases. However, current imaging techniques are limited due to the use of ionizing radiation or contrast agents, short penetration depth, or complex and expensive data acquisition systems. Photoacoustic tomography shows promise as a solution to these issues. However, existing photoacoustic tomography methods collect signals either sequentially or through numerous detector elements, leading to either low imaging speed or high system complexity and cost. To address these issues, here we introduce a method to capture a 3D photoacoustic image of vasculature using a single laser pulse and a single-element detector that functions as 6,400 virtual ones. Our method enables ultrafast volumetric imaging of hemodynamics in the human body at up to 1 kHz and requires only a single calibration for different objects and for long-term operations. We demonstrate 3D imaging of hemodynamics at depth in humans and small animals, capturing the variability in blood flow speeds. This concept can inspire other imaging technologies and find applications such as home-care monitoring, biometrics, point-of-care testing, and wearable monitoring.", "date": "2023-03-22", "date_type": "published", "id_number": "CaltechAUTHORS:20230316-181893000.2", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20230316-181893000.2", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "NIH", "grant_number": "R01 EB028277" }, { "agency": "NIH", "grant_number": "U01 EB029823" }, { "agency": "NIH", "grant_number": "R35 CA220436" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.1101/2023.03.14.532661", "pmcid": "PMC10055152", "primary_object": { "basename": "media-10.mp4", "url": "https://authors.library.caltech.edu/records/t1y8g-03z18/files/media-10.mp4" }, "related_objects": [ { "basename": "media-12.mp4", "url": "https://authors.library.caltech.edu/records/t1y8g-03z18/files/media-12.mp4" }, { "basename": "media-3.mp4", "url": "https://authors.library.caltech.edu/records/t1y8g-03z18/files/media-3.mp4" }, { "basename": "media-9.mp4", "url": "https://authors.library.caltech.edu/records/t1y8g-03z18/files/media-9.mp4" }, { "basename": "media-2.mp4", "url": "https://authors.library.caltech.edu/records/t1y8g-03z18/files/media-2.mp4" }, { "basename": "media-8.mp4", "url": "https://authors.library.caltech.edu/records/t1y8g-03z18/files/media-8.mp4" }, { "basename": "media-11.mp4", "url": "https://authors.library.caltech.edu/records/t1y8g-03z18/files/media-11.mp4" }, { "basename": "media-5.mp4", "url": "https://authors.library.caltech.edu/records/t1y8g-03z18/files/media-5.mp4" }, { "basename": "media-6.mp4", "url": "https://authors.library.caltech.edu/records/t1y8g-03z18/files/media-6.mp4" }, { "basename": "media-7.mp4", "url": "https://authors.library.caltech.edu/records/t1y8g-03z18/files/media-7.mp4" }, { "basename": "2023.03.14.532661v1.full.pdf", "url": "https://authors.library.caltech.edu/records/t1y8g-03z18/files/2023.03.14.532661v1.full.pdf" }, { "basename": "media-1.mp4", "url": "https://authors.library.caltech.edu/records/t1y8g-03z18/files/media-1.mp4" }, { "basename": "media-4.mp4", "url": "https://authors.library.caltech.edu/records/t1y8g-03z18/files/media-4.mp4" } ], "pub_year": "2023", "author_list": "Zhang, Yide; Hu, Peng; et el." }, { "id": "https://authors.library.caltech.edu/records/m111r-zr243", "eprint_id": 120132, "eprint_status": "archive", "datestamp": "2023-08-20 09:09:39", "lastmod": "2023-12-22 23:07:38", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Afik-Eldad", "name": { "family": "Afik", "given": "Eldad" }, "orcid": "0000-0002-8887-2166" }, { "id": "Liu-Toni-J-B", "name": { "family": "Liu", "given": "Toni J. B." } }, { "id": "Meyerowitz-E-M", "name": { "family": "Meyerowitz", "given": "Elliot M." }, "orcid": "0000-0003-4798-5153" } ] }, "title": "Dynamical states of self-organized waves in a giant single-celled organism feeding on light", "ispublished": "unpub", "full_text_status": "public", "note": "The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY 4.0 International license. \n\nThe laboratory of E.M.M. is supported by the Howard Hughes Medical Institute. E.A. has been awarded the Zuckerman Israeli Postdoctoral Scholar, Zuckerman STEM Lead-ership Program, and the Biology and Biological Engineering Divisional Fellowship, Caltech. T.J.B.L. has been awarded the Summer Undergraduate Research Fellowship (SURF), Caltech.\n\nAuthor contributions\nConceptualization: E.M.M proposed studying morphogenesis in Caulerpa; E.A. designed the study; Methodology: E.A. designed the experimental system and analysis; Investigation: E.A. performed the measurements; E.A. and T.J.B.L. performed computational analysis; Visualization: E.A. and T.J.B.L.; Funding acquisition: E.M.M.; Writing \u2013 original draft: E.A.; Writing \u2013 review & editing: E.A. and E.M.M.; All authors discussed and commented on the manuscript. \n\nData and materials availability. Analyzed data are available in the main text. Raw data, code and materials are available upon request from E.A. and E.M.M. All programming and computer aided analysis has been done using open-source projects, primarily tools from the Scientific Python ecosystem. Distributed image processing was conducted in the Resnick High Performance Computing Center, a facility supported by Resnick Sustainability Institute at the California Institute of Technology. \n\nThe authors have declared no competing interest.\n\nSubmitted - 2023.02.22.529174v1.full.pdf
Supplemental Material - media-1.mp4
", "abstract": "Living systems often appear to act upon potential outcomes, exhibiting anticipatory behavior. Here we studyCaulerpa brachypus, a marine green alga consisting of differentiated organs resembling leaves, stems and roots. While an individual can exceed a meter in size, it is a single multinucleated giant cell. Our experimental work reveals self-organized waves of greenness \u2014 chloroplasts \u2014 that propagate throughout the alga and anticipate the day-night light cycle. Using dynamical systems analysis we show that these waves are coupled to a self-sustained oscillator, and demonstrate their entrainment to light. Under constant conditions we find that light intensity affects the natural period and can drive transition to temporal disorder. We find also that the rate of development of organs, and their shape and size, depend on light intensity and its temporal distribution. The findings suggest the waves and their environmental control as a link among biological oscillators, metabolism and morphogenesis.", "date": "2023-03-22", "date_type": "published", "id_number": "CaltechAUTHORS:20230316-182110000.13", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20230316-182110000.13", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Howard Hughes Medical Institute (HHMI)" }, { "agency": "Mortimer B. Zuckerman STEM Leadership Program" }, { "agency": "Caltech Division of Biology and Biological Engineering" }, { "agency": "Caltech Summer Undergraduate Research Fellowship (SURF)" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" }, { "id": "Division-of-Biology-and-Biological-Engineering" } ] }, "doi": "10.1101/2023.02.22.529174", "primary_object": { "basename": "2023.02.22.529174v1.full.pdf", "url": "https://authors.library.caltech.edu/records/m111r-zr243/files/2023.02.22.529174v1.full.pdf" }, "related_objects": [ { "basename": "media-1.mp4", "url": "https://authors.library.caltech.edu/records/m111r-zr243/files/media-1.mp4" } ], "pub_year": "2023", "author_list": "Afik, Eldad; Liu, Toni J. B.; et el." }, { "id": "https://authors.library.caltech.edu/records/10par-s8635", "eprint_id": 118461, "eprint_status": "archive", "datestamp": "2023-08-20 08:13:44", "lastmod": "2023-10-24 23:22:01", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Cole-Elijah", "name": { "family": "Cole", "given": "Elijah" }, "orcid": "0000-0001-6623-0966" }, { "id": "Wilber-Kimberly", "name": { "family": "Wilber", "given": "Kimberly" }, "orcid": "0000-0001-7040-0251" }, { "id": "Van-Horn-Grant", "name": { "family": "Van Horn", "given": "Grant" }, "orcid": "0000-0003-2953-9651" }, { "id": "Yang-Xuan", "name": { "family": "Yang", "given": "Xuan" } }, { "id": "Fornoni-Marco", "name": { "family": "Fornoni", "given": "Marco" }, "orcid": "0000-0001-5538-8012" }, { "id": "Perona-P", "name": { "family": "Perona", "given": "Pietro" }, "orcid": "0000-0002-7583-5809" }, { "id": "Belongie-Serge", "name": { "family": "Belongie", "given": "Serge" }, "orcid": "0000-0002-0388-5217" }, { "id": "Howard-Andrew-Google", "name": { "family": "Howard", "given": "Andrew" } }, { "id": "Mac-Aodha-Oisin", "name": { "family": "Mac Aodha", "given": "Oisin" }, "orcid": "0000-0002-5787-5073" } ] }, "title": "On Label Granularity and Object Localization", "ispublished": "unpub", "full_text_status": "public", "note": "We thank the iNaturalist community for sharing images and species annotations. This work was supported by the Caltech Resnick Sustainability Institute, an NSF Graduate Research Fellowship (grant number DGE1745301), and the Pioneer Centre for AI (DNRF grant number P1).", "abstract": "Weakly supervised object localization (WSOL) aims to learn representations that encode object location using only image-level category labels. However, many objects can be labeled at different levels of granularity. Is it an animal, a bird, or a great horned owl? Which image-level labels should we use? In this paper we study the role of label granularity in WSOL. To facilitate this investigation we introduce iNatLoc500, a new large-scale fine-grained benchmark dataset for WSOL. Surprisingly, we find that choosing the right training label granularity provides a much larger performance boost than choosing the best WSOL algorithm. We also show that changing the label granularity can significantly improve data efficiency.", "date": "2022-12-21", "date_type": "published", "publisher": "arXiv", "id_number": "CaltechAUTHORS:20221219-234038678", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20221219-234038678", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Resnick Sustainability Institute" }, { "agency": "NSF Graduate Research Fellowship", "grant_number": "DGE-1745301" }, { "agency": "Danish National Research Foundation", "grant_number": "P1" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.48550/arXiv.2207.10225", "pub_year": "2022", "author_list": "Cole, Elijah; Wilber, Kimberly; et el." }, { "id": "https://authors.library.caltech.edu/records/rbvyp-45b32", "eprint_id": 118459, "eprint_status": "archive", "datestamp": "2023-08-20 08:13:12", "lastmod": "2023-10-24 23:21:55", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Kay-Justin", "name": { "family": "Kay", "given": "Justin" } }, { "id": "Kulits-Peter", "name": { "family": "Kulits", "given": "Peter" } }, { "id": "Stathatos-Suzanne", "name": { "family": "Stathatos", "given": "Suzanne" }, "orcid": "0000-0003-4351-4389" }, { "id": "Deng-Siqi", "name": { "family": "Deng", "given": "Siqi" } }, { "id": "Young-Erik", "name": { "family": "Young", "given": "Erik" }, "orcid": "0000-0002-6783-2608" }, { "id": "Beery-Sara", "name": { "family": "Beery", "given": "Sara" }, "orcid": "0000-0002-2544-1844" }, { "id": "Van-Horn-Grant", "name": { "family": "Van Horn", "given": "Grant" }, "orcid": "0000-0003-2953-9651" }, { "id": "Perona-P", "name": { "family": "Perona", "given": "Pietro" }, "orcid": "0000-0002-7583-5809" } ] }, "title": "The Caltech Fish Counting Dataset: A Benchmark for Multiple-Object Tracking and Counting", "ispublished": "unpub", "full_text_status": "public", "note": "We are grateful to AWS for a gift to Trout Unlimited\n(TU) that supported data annotations, computational and storage costs, and to the Resnick Sustainability Institute at Caltech for funding to SB and PP. An NSF Fellowship supported SB. JK, SD, and EY volunteered their time. GVH was supported by the Macaulay Library at Cornell University. For collecting the dataset, and for feedback, encouragement, and moral support, we are grateful to: George Pess and Oleksandr Stefankiv (Northwest Fisheries Science Center); James Miller, Carl Pfisterer, Dawn Wilburn, Brandon Key, Suzanne Maxwell, Gregory Buck, April Faulkner, and Jordan Head (Alaska Department of Fish and Game); Dave Kajtaniak and Michael Sparkman (California Department of Fish and Wildlife); Dean Finnerty (TU's Wild Steelhead Project); and Keith Denton, Mike McHenry, and the Lower Elwha Klallam Tribe.", "abstract": "We present the Caltech Fish Counting Dataset (CFC), a large-scale dataset for detecting, tracking, and counting fish in sonar videos. We identify sonar videos as a rich source of data for advancing low signal-to-noise computer vision applications and tackling domain generalization in multiple-object tracking (MOT) and counting. In comparison to existing MOT and counting datasets, which are largely restricted to videos of people and vehicles in cities, CFC is sourced from a natural-world domain where targets are not easily resolvable and appearance features cannot be easily leveraged for target re-identification. With over half a million annotations in over 1,500 videos sourced from seven different sonar cameras, CFC allows researchers to train MOT and counting algorithms and evaluate generalization performance at unseen test locations. We perform extensive baseline experiments and identify key challenges and opportunities for advancing the state of the art in generalization in MOT and counting.", "date": "2022-12-21", "date_type": "published", "publisher": "arXiv", "id_number": "CaltechAUTHORS:20221219-234031928", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20221219-234031928", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Amazon Web Services" }, { "agency": "Resnick Sustainability Institute" }, { "agency": "NSF Graduate Research Fellowship" }, { "agency": "Cornell University" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.48550/arXiv.2207.09295", "pub_year": "2022", "author_list": "Kay, Justin; Kulits, Peter; et el." }, { "id": "https://authors.library.caltech.edu/records/pz5qq-s4v15", "eprint_id": 120325, "eprint_status": "archive", "datestamp": "2023-08-20 08:34:52", "lastmod": "2023-10-18 16:02:20", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Demirer-G\u00f6zde-S", "name": { "family": "Demirer", "given": "Gozde S." }, "orcid": "0000-0002-3007-1489" }, { "id": "Gibson-Donald-J", "name": { "family": "Gibson", "given": "Donald J." } }, { "id": "Yue-Xiaoyan", "name": { "family": "Yue", "given": "Xiaoyan" }, "orcid": "0000-0001-7920-1734" }, { "id": "Pan-Kelly", "name": { "family": "Pan", "given": "Kelly" } }, { "id": "Elishav-Eshel", "name": { "family": "Elishav", "given": "Eshel" } }, { "id": "Khandal-Hitaishi", "name": { "family": "Khandal", "given": "Hitaishi" }, "orcid": "0000-0002-3899-4325" }, { "id": "Horev-Guy", "name": { "family": "Horev", "given": "Guy" }, "orcid": "0000-0002-6632-9795" }, { "id": "Tarkowsk\u00e1-Danu\u0161e", "name": { "family": "Tarkowsk\u00e1", "given": "Danu\u0161e" }, "orcid": "0000-0003-1478-1904" }, { "id": "Cant\u00f3-Pastor-Alex", "name": { "family": "Cant\u00f3-Pastor", "given": "Alex" }, "orcid": "0000-0001-8571-1116" }, { "id": "Kong-Shuyao", "name": { "family": "Kong", "given": "Shuyao" }, "orcid": "0000-0002-3124-8899" }, { "id": "Maloof-Julin", "name": { "family": "Maloof", "given": "Julin" }, "orcid": "0000-0002-9623-2599" }, { "id": "Savaldi-Goldstein-Sigal", "name": { "family": "Savaldi-Goldstein", "given": "Sigal" }, "orcid": "0000-0003-3458-5783" }, { "id": "Brady-Siobhan-M", "name": { "family": "Brady", "given": "Siobhan M." }, "orcid": "0000-0001-9424-8055" } ] }, "title": "The Phosphate Deprivation Response is Mediated by an Interaction between Brassinosteroid Signaling and Zinc in Tomato", "ispublished": "unpub", "full_text_status": "public", "note": "The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY-NC-ND 4.0 International license. \n\nWe thank Tsuyoshi Nakagawa for the pGWB402 plasmid. GSD is supported by the Resnick Sustainability Institute Postdoctoral Fellowship. This work was funded by a BARD Research Grant Agreement No. IS4827-15 to SMB and SS-G. Additional support was provided by an HHMI Faculty Scholar and NSF 1856749, 2119820 and 1238243 and SS-G has received funding from the European Union's Horizon 2020 research and innovation program under the Grant Agreement No. [727929] (TOMRES). DT is grateful for financial support from European Regional Development Fund Project, Centre for Experimental Plant Biology No. CZ.02.1.01/0.0/0.0/16_019/0000738. \n\nThe authors have declared no competing interest.\n\nSubmitted - 2022.09.21.508943v1.full.pdf
Supplemental Material - media-1.pdf
", "abstract": "Phosphate is a necessary macronutrient for basic biological processes, plant growth, and agriculture. Plants modulate their root system architecture and cellular processes to adapt to phosphate deprivation albeit with a growth penalty. Excess application of phosphate fertilizer, on the other hand, leads to eutrophication and has a negative environmental impact. Moreover, phosphate mined from rock reserves is a finite and non-recyclable resource and its levels are nearing complete depletion. Here, we show that Solanum pennellii, a wild relative of tomato, is partially insensitive to phosphate deprivation. Furthermore, it mounts a constitutive response under phosphate sufficiency. We demonstrate that activated brassinosteroid signaling through a tomato BZR1 ortholog gives rise to the same constitutive phosphate deficiency response, which is dependent on zinc over-accumulation. Collectively, these results reveal an additional strategy by which plants can adapt to phosphate starvation.", "date": "2022-09-23", "date_type": "published", "id_number": "CaltechAUTHORS:20230322-366963000.10", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20230322-366963000.10", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Resnick Sustainability Institute" }, { "agency": "Binational Agricultural Research & Development Fund (BARD)", "grant_number": "IS4827-15" }, { "agency": "Howard Hughes Medical Institute (HHMI)" }, { "agency": "NSF", "grant_number": "IOS-1856749" }, { "agency": "NSF", "grant_number": "IOS-2119820" }, { "agency": "NSF", "grant_number": "IOS-1238243" }, { "agency": "European Research Council (ERC)", "grant_number": "727929" }, { "agency": "European Regional Development Fund", "grant_number": "CZ.02.1.01/0.0/0.0/16_019/0000738" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.1101/2022.09.21.508943", "primary_object": { "basename": "2022.09.21.508943v1.full.pdf", "url": "https://authors.library.caltech.edu/records/pz5qq-s4v15/files/2022.09.21.508943v1.full.pdf" }, "related_objects": [ { "basename": "media-1.pdf", "url": "https://authors.library.caltech.edu/records/pz5qq-s4v15/files/media-1.pdf" } ], "pub_year": "2022", "author_list": "Demirer, Gozde S.; Gibson, Donald J.; et el." }, { "id": "https://authors.library.caltech.edu/records/eaa21-b8008", "eprint_id": 116212, "eprint_status": "archive", "datestamp": "2023-08-20 08:23:10", "lastmod": "2023-12-22 23:43:38", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Flamholz-Avi-I", "name": { "family": "Flamholz", "given": "Avi I." }, "orcid": "0000-0002-9278-5479" }, { "id": "Saccomano-Sameul-C", "name": { "family": "Saccomano", "given": "Samuel" }, "orcid": "0000-0001-9105-2663" }, { "id": "Cash-Kevin-J", "name": { "family": "Cash", "given": "Kevin" }, "orcid": "0000-0002-8059-0922" }, { "id": "Newman-D-K", "name": { "family": "Newman", "given": "Dianne K." }, "orcid": "0000-0003-1647-1918" } ] }, "title": "Optical O\u2082 sensors also respond to redox active molecules commonly secreted by bacteria", "ispublished": "unpub", "full_text_status": "public", "note": "The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY-NC-ND 4.0 International license. \n\nThanks to Chelsey VanDrisse for supplying pyocyanin, Andrew Babbin for OXNANO beads, Lucas Meirelles and John Ciemniecki for assistance with toxoflavin and B. glumae cultivation. Thanks to Josh Goldford, Darcy McRose, Georgia Squyers, and Lev Tsypin and for useful conversations. This investigation was aided by a Postdoctoral Fellowship from The Jane Coffin Childs Memorial Fund for Medical Research (to A.I.F.) and NIH grants (1R01AI127850-01A1 and 1R01HL152190-01) to D.K.N as well as the US Department of Energy (DOE) Office of Science, Office of Biological and Environmental Research Bioimaging Science Program under subcontract B643823 (to KJC) and the LLNL 3DQ Microscope Project, SCW1713.\n\nSubmitted - 2022.08.08.503264v1.full.pdf
", "abstract": "From a metabolic perspective, molecular oxygen (O\u2082) is arguably the most significant constituent of Earth's atmosphere. Nearly every facet of microbial physiology is sensitive to the presence and concentration of O\u2082, which is the most favorable terminal electron acceptor used by biology and also a dangerously reactive oxidant. As O\u2082 has such sweeping implications for physiology, researchers have developed diverse approaches to measure O\u2082 concentrations in natural and laboratory settings. Recent improvements to phosphorescent O\u2082 sensors piqued our interest due to the promise of optical measurement of spatiotemporal O\u2082 dynamics. However, we found that our preferred bacterial model, Pseudomonas aeruginosa PA14, secretes more than one molecule that quenches such sensors, complicating O\u2082 measurements in PA14 cultures and biofilms. Assaying supernatants from cultures of 9 bacterial species demonstrated that this phenotype is common: all supernatants quenched a soluble O\u2082 probe substantially. Phosphorescent O\u2082 probes are often embedded in solid support for protection, but an embedded probe called O\u2082 NS was quenched by most supernatants as well. Measurements using pure compounds indicated that quenching is due to interactions with redox-active small molecules including phenazines and flavins. Uncharged and weakly-polar molecules like pyocyanin were especially potent quenchers of O\u2082 NS. These findings underscore that optical O\u2082 measurements made in the presence of bacteria should be carefully controlled to ensure that O2, and not bacterial secretions, is measured, and motivate the design of custom O\u2082 probes for specific organisms to circumvent sensitivity to redox-active metabolites.", "date": "2022-08-12", "date_type": "published", "id_number": "CaltechAUTHORS:20220810-751722000", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20220810-751722000", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Jane Coffin Childs Memorial Fund for Medical Research" }, { "agency": "NIH", "grant_number": "1R01AI127850-01A1" }, { "agency": "NIH", "grant_number": "1R01HL152190-01" }, { "agency": "Department of Energy (DOE)", "grant_number": "B643823" }, { "agency": "Department of Energy (DOE)", "grant_number": "SCW1713" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" }, { "id": "Division-of-Geological-and-Planetary-Sciences" }, { "id": "Division-of-Biology-and-Biological-Engineering" } ] }, "doi": "10.1101/2022.08.08.503264", "primary_object": { "basename": "2022.08.08.503264v1.full.pdf", "url": "https://authors.library.caltech.edu/records/eaa21-b8008/files/2022.08.08.503264v1.full.pdf" }, "pub_year": "2022", "author_list": "Flamholz, Avi I.; Saccomano, Samuel; et el." }, { "id": "https://authors.library.caltech.edu/records/0ytrn-82d48", "eprint_id": 116047, "eprint_status": "archive", "datestamp": "2023-08-20 08:01:58", "lastmod": "2023-10-24 20:58:03", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Larsson-Henrik-R", "name": { "family": "Larsson", "given": "Henrik R." }, "orcid": "0000-0002-9417-1518" }, { "id": "Zhai-Huanchen", "name": { "family": "Zhai", "given": "Huanchen" }, "orcid": "0000-0003-0086-0388" }, { "id": "Umrigar-Cyrus-J", "name": { "family": "Umrigar", "given": "Cyrus J." } }, { "id": "Chan-Garnet-K-L", "name": { "family": "Chan", "given": "Garnet Kin-Lic" }, "orcid": "0000-0001-8009-6038" } ] }, "title": "The chromium dimer: closing a chapter of quantum chemistry", "ispublished": "unpub", "full_text_status": "public", "note": "Work by G.K.C. was supported by the US National Science Foundation (NSF) via grant no. CHE-2102505. G.K.C acknowledges additional support from the Simons Foundation via the Many-Electron Collaboration and the Investigator Award. Work by H.R.L. and H.Z. was supported by the Air Force Office of Scientific Research, under Award FA9550-18-1-0095. H.R.L. acknowledges support from a postdoctoral fellowship from the German Research Foundation (DFG) via grant LA 4442/1-1 during the first part of this work. Some of the computations were conducted at the Resnick High Performance Computing Center, a facility supported by the Resnick Sustainability Institute at the California Institute of Technology.\n\nSubmitted - 2206.10738.pdf
Supplemental Material - supplemental.pdf
", "abstract": "The complex electronic structure and unusual potential energy curve of the chromium dimer have fascinated scientists for decades, with agreement between theory and experiment so far elusive. Here, we present a new ab initio simulation of the potential energy curve and vibrational spectrum that significantly improves on all earlier estimates. Our data support a shift in earlier experimental assignments of a cluster of vibrational frequencies by one quantum number. The new vibrational assignment yields an experimentally derived potential energy curve in quantitative agreement with theory across all bond lengths and across all measured frequencies. By solving this long-standing problem, our results raise the possibility of quantitative quantum chemical modeling of transition metal clusters with spectroscopic accuracy.", "date": "2022-08-03", "date_type": "published", "publisher": "arXiv", "id_number": "CaltechAUTHORS:20220802-224626407", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20220802-224626407", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "NSF", "grant_number": "CHE-2102505" }, { "agency": "Simons Foundation" }, { "agency": "Air Force Office of Scientific Research (AFOSR)", "grant_number": "FA9550-18-1-0095" }, { "agency": "Deutsche Forschungsgemeinschaft (DFG)", "grant_number": "LA 4442/1-1" }, { "agency": "Resnick Sustainability Institute" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.48550/arXiv.2206.10738", "primary_object": { "basename": "2206.10738.pdf", "url": "https://authors.library.caltech.edu/records/0ytrn-82d48/files/2206.10738.pdf" }, "related_objects": [ { "basename": "supplemental.pdf", "url": "https://authors.library.caltech.edu/records/0ytrn-82d48/files/supplemental.pdf" } ], "pub_year": "2022", "author_list": "Larsson, Henrik R.; Zhai, Huanchen; et el." }, { "id": "https://authors.library.caltech.edu/records/rrbjb-76q78", "eprint_id": 115868, "eprint_status": "archive", "datestamp": "2023-08-20 08:12:59", "lastmod": "2023-10-24 20:54:16", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "McNicholas-Brendon-J", "name": { "family": "McNicholas", "given": "Brendon J." }, "orcid": "0000-0002-3654-681X" }, { "id": "Nie-Cherish", "name": { "family": "Nie", "given": "Cherish" } }, { "id": "Jose-Anex", "name": { "family": "Jose", "given": "Anex" } }, { "id": "Oyala-Paul-H", "name": { "family": "Oyala", "given": "Paul H." }, "orcid": "0000-0002-8761-4667" }, { "id": "Takase-Michael-K", "name": { "family": "Takase", "given": "Michael K." }, "orcid": "0000-0001-8365-3645" }, { "id": "Henling-Larry-M", "name": { "family": "Henling", "given": "Larry M." } }, { "id": "Barth-Alexandra-T", "name": { "family": "Barth", "given": "Alexandra T." }, "orcid": "0000-0002-1813-4029" }, { "id": "Amaolo-Alessio", "name": { "family": "Amaolo", "given": "Alessio" } }, { "id": "Hadt-R-G", "name": { "family": "Hadt", "given": "Ryan G." }, "orcid": "0000-0001-6026-1358" }, { "id": "Solomon-Edward-I", "name": { "family": "Solomon", "given": "Edward I." }, "orcid": "0000-0003-0291-3199" }, { "id": "Winkler-Jay-R", "name": { "family": "Winkler", "given": "Jay R." }, "orcid": "0000-0002-4453-9716" }, { "id": "Gray-H-B", "name": { "family": "Gray", "given": "Harry B." }, "orcid": "0000-0002-7937-7876" }, { "id": "Despagnet-Ayoub-Emmanuelle", "name": { "family": "Despagnet-Ayoub", "given": "Emmanuelle" }, "orcid": "0000-0002-9013-7574" } ] }, "title": "Boronated Cyanometallates", "ispublished": "unpub", "full_text_status": "public", "note": "The content is available under CC BY NC ND 4.0 License. \n\nWe dedicate this paper to the memory of Bob Grubbs, a great scientist and dear friend, who urged (ordered!) three of us (H.B.G., B.J.M., E.D.A.) to develop new redox complexes for use in nonaqueous redox flow batteries. After considering various options, we began work on boronated cyanometallates. We acknowledge the X-ray Crystallography Facility in the Beckman Institute at Caltech, and the Dow Next Generation Instrumentation Grant for X-ray structure collection. R.G.H. gratefully acknowledges financial support from Caltech and the Dow Next Generation Educator Fund. EPR spectroscopy was performed in the Caltech EPR facility, which is also supported by the Beckman Institute and the Dow Next Generation Educator Fund. We thank David van der Velde for assistance in interpreting NMR data. We thank Wesley Kramer and Brian Sanders for helpful discussions. The computations presented here were conducted in the Resnick High Performance Computing Center, a facility supported by Resnick Sustainability Institute at the California Institute of Technology. \n\nThis work was supported by the National Science Foundation (CHE-1763429). Additional funding was provided by two Arthur A. Noyes SURF Fellowships (C. N. and A. A.) and the Beckman Institute Laser Resource Center supported by the Arnold and Mabel Beckman Foundation. \n\nAuthor Contributions. All authors have given approval to the final version of the manuscript.\n\nSubmitted - boronated-cyanometallates.pdf
Supplemental Material - boronated-cyanometallates-supporting-information.pdf
", "abstract": "Fourteen boronated cyanometallates ([M(CN-BR\u2083)\u2086]^(3/4/5\u2013) (M = Cr, Mn, Fe, Ru, Os, R = BPh\u2083, B(2,4,6,-F\u2083C\u2086H\u2082)\u2083, B(C\u2086F5)\u2083) have been characterized by X-ray crystallography and spectroscopy [UV-vis-NIR, NMR, IR, spectroelectrochemistry, and magnetic circular dichroism (MCD)]; CASSCF+NEVPT2 methods were employed in calculations of electronic structures. For (t_(2g))\u2075 electronic configurations, the lowest energy ligand-to-metal charge transfer (LMCT) absorptions and MCD C terms in the spectra of boronated species have been assigned to transitions from cyanide \u03c3+\u03c0 + B-C borane \u03c3 orbitals. CASSCF+NEVPT2 calculations including t1u and t2u orbitals reproduced t_(1u)/t_(2u) \u2192 t_(2g) excitation energies. All ([M(CN-BR3)6]3/4\u2212 complexes exhibited highly electrochemically reversible redox couples. Notably, the formal potentials of all five [M(CN-B(C\u2086F\u2085)\u2083)\u2086]\u00b3\u207b anions scale with LMCT energies; and Mn(I) and Cr(II) compounds, (K(18-crown-6))\u2085[Mn(CN-B(C6F\u2085)\u2083)\u2086] and (TBA)\u2084[Cr(CN-B(C\u2086F\u2085)\u2083)\u2086], are surprisingly stable. Continuous wave and pulsed electron paramagnetic resonance (hyperfine sublevel correlation) spectra were collected for all Cr(III) complexes; as expected, \u00b9\u2074N hyperfine splittings are greater for (TBA)\u2083[Cr(NC-BPh\u2083)\u2086] than for (TBA)\u2083[Cr(CN-BPh\u2083)\u2086]. Using (TBA)\u2084[Fe(CN-B(C\u2086F\u2085)\u2083)\u2086] and (TBA)\u2083[Fe(CN)\u2086], a model flow battery was constructed and found to have an 80% energy efficiency.", "date": "2022-07-27", "date_type": "published", "id_number": "CaltechAUTHORS:20220726-998148000", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20220726-998148000", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "NSF", "grant_number": "CHE-1763429" }, { "agency": "Dow Next Generation Educator Fund" }, { "agency": "Caltech Beckman Institute" }, { "agency": "Caltech Summer Undergraduate Research Fellowship (SURF)" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.26434/chemrxiv-2022-8r90r", "primary_object": { "basename": "boronated-cyanometallates.pdf", "url": "https://authors.library.caltech.edu/records/rrbjb-76q78/files/boronated-cyanometallates.pdf" }, "related_objects": [ { "basename": "boronated-cyanometallates-supporting-information.pdf", "url": "https://authors.library.caltech.edu/records/rrbjb-76q78/files/boronated-cyanometallates-supporting-information.pdf" } ], "pub_year": "2022", "author_list": "McNicholas, Brendon J.; Nie, Cherish; et el." }, { "id": "https://authors.library.caltech.edu/records/evkz6-5jd40", "eprint_id": 115471, "eprint_status": "archive", "datestamp": "2023-08-22 16:48:03", "lastmod": "2023-10-23 20:08:31", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Laskowski-Forrest-A-L", "name": { "family": "Laskowski", "given": "Forrest A. L." }, "orcid": "0000-0001-8909-483X" }, { "id": "McHaffie-Daniel-B", "name": { "family": "McHaffie", "given": "Daniel B." } }, { "id": "See-Kimberly-A", "name": { "family": "See", "given": "Kimberly A." }, "orcid": "0000-0002-0133-9693" } ] }, "title": "Identification of Potential Solid-State Li-Ion Conductors with Semi-Supervised Learning", "ispublished": "unpub", "full_text_status": "public", "keywords": "solid state electrolytes; semi-supervised learning; li\u2083bs\u2083; superionic conductor", "note": "The content is available under CC BY NC ND 4.0 License. \n\nF.A.L.L acknowledges the support of the Arnold and Mabel Beckman Foundation via a 2020 Arnold O. Beckman Postdoctoral Fellowship in Chemical Sciences. F.A.L.L would also like to thank Andrew J. Martinolich for his guidance and insightful scientific input. The NEB computations presented here were conducted in the Resnick High Performance Computing Center, a facility supported by Resnick Sustainability Institute at the California Institute of Technology. \n\nAuthor Contributions. The manuscript was written through contributions of all authors. All authors have given approval to the final version of the manuscript. The authors declare no competing financial interest. \n\nData Availability. The data that support the findings of this study are available from the corresponding author upon reasonable request. \n\nThe author(s) have declared they have no conflict of interest with regard to this content.\n\nSubmitted - 10.26434_chemrxiv-2022-2m3qb.pdf
Supplemental Material - supporting-information-for-identification-of-potential-solid-state-li-ion-conductors-with-semi-supervised-learning.pdf
", "abstract": "Despite ongoing efforts to identify high-performance electrolytes for solid-state Li-ion batteries, thousands of prospective Li-containing structures remain unexplored. Here, we employ a semi-supervised learning approach to expedite identification of ionic conductors. We screen 180 unique descriptor representations and use agglomerative clustering to cluster ~26,000 Li-containing structures. The clusters are then labeled with experimental ionic conductivity data to assess the fitness of the descriptors. By inspecting clusters containing the highest conductivity labels, we identify 212 promising structures that are further screened using bond valence site energy and nudged elastic band calculations. Li\u2083BS\u2083 is identified as a potential high-conductivity material and selected for experimental characterization. With sufficient defect engineering, we show that Li\u2083BS\u2083 is a superionic conductor with room temperature ionic conductivity greater than 1 mS cm\u207b\u00b9. While the semi-supervised method shows promise for identification of superionic conductors, the results illustrate a continued need for descriptors that explicitly encode for defects.", "date": "2022-07-12", "date_type": "published", "id_number": "CaltechAUTHORS:20220711-653076000", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20220711-653076000", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Arnold and Mabel Beckman Foundation" }, { "agency": "Resnick Sustainability Institute" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.26434/chemrxiv-2022-2m3qb", "primary_object": { "basename": "10.26434_chemrxiv-2022-2m3qb.pdf", "url": "https://authors.library.caltech.edu/records/evkz6-5jd40/files/10.26434_chemrxiv-2022-2m3qb.pdf" }, "related_objects": [ { "basename": "supporting-information-for-identification-of-potential-solid-state-li-ion-conductors-with-semi-supervised-learning.pdf", "url": "https://authors.library.caltech.edu/records/evkz6-5jd40/files/supporting-information-for-identification-of-potential-solid-state-li-ion-conductors-with-semi-supervised-learning.pdf" } ], "pub_year": "2022", "author_list": "Laskowski, Forrest A. L.; McHaffie, Daniel B.; et el." }, { "id": "https://authors.library.caltech.edu/records/g5ns4-9rc08", "eprint_id": 115408, "eprint_status": "archive", "datestamp": "2023-08-20 07:45:09", "lastmod": "2023-10-24 16:30:03", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Yu-Phelan", "name": { "family": "Yu", "given": "Phelan" }, "orcid": "0000-0002-3715-9133" }, { "id": "Lopez-Adrian-A", "name": { "family": "Lopez", "given": "Adrian" } }, { "id": "Goddard-W-A-III", "name": { "family": "Goddard", "given": "William A., III" }, "orcid": "0000-0003-0097-5716" }, { "id": "Hutzler-N-R", "name": { "family": "Hutzler", "given": "Nicholas R." }, "orcid": "0000-0002-5203-3635" } ] }, "title": "Multivalent optical cycling centers in polyatomic molecules", "ispublished": "unpub", "full_text_status": "public", "note": "We thank Benjamin Augenbraun, Lan Cheng, Arian Jadbabaie, Anna Krylov, Nick Pilgram, and Pawe\u0142 W\u00f3jcik for insightful discussions and feedback. P. Y. acknowledges support from the Eddleman Graduate Fellowship through the Institute for Quantum Information and Matter (IQIM), the Gordon and Betty Moore Foundation (7947), and the Alfred P. Sloan Foundation (G2019-12502). A. L. acknowledges support from the C. S. Shastry Prize and the Caltech Associates SURF Fellowship. W. A. G. was supported by the Ferkel Chair. N. R. H. acknowledges support from the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES), under Award No. DE-SC0019245. The computations presented here were conducted in the Resnick High Performance Computing Center, a facility supported by Resnick Sustainability Institute at the California Institute of Technology\n\nSubmitted - 2205.11860.pdf
", "abstract": "Optical control of polyatomic molecules promises new opportunities in precision metrology, fundamental chemistry, quantum information, and many-body science. Contemporary experimental and theoretical efforts have mostly focused on cycling photons via excitation of a single electron localized to an alkaline earth (group 2)-like metal center. In this manuscript, we consider pathways towards optical cycling in polyatomic molecules with multi-electron degrees of freedom, which arise from two or more cycling electrons localized to p-block post-transition metal and metalloid (group 13, 14, and 15) centers. We characterize the electronic structure and rovibrational branching of several prototypical candidates using ab initio quantum chemical methods. Despite increased internal complexity and challenging design parameters, we find several molecules possessing quasi-closed photon cycling schemes with highly diagonal, visible and near-infrared transitions. Furthermore, we identify new heuristics for engineering optically controllable and laser-coolable polyatomic molecules with multi-electron cycling centers. Our results help elucidate the interplay between hybridization, repulsion, and ionicity in optically active species and provide a first step towards using polyatomic molecules with complex electronic structure as a resource for quantum science and measurement.", "date": "2022-07-08", "date_type": "published", "publisher": "arXiv", "id_number": "CaltechAUTHORS:20220707-204114065", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20220707-204114065", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Institute for Quantum Information and Matter (IQIM)" }, { "agency": "Gordon and Betty Moore Foundation", "grant_number": "7947" }, { "agency": "Alfred P. Sloan Foundation", "grant_number": "G2019-12502" }, { "agency": "C. S. Shastry Prize" }, { "agency": "Caltech Associates" }, { "agency": "Caltech Summer Undergraduate Research Fellowship (SURF)" }, { "agency": "Charles and Mary Ferkel Professor of Chemistry, Materials Science, and Applied Physics" }, { "agency": "Department of Energy (DOE)", "grant_number": "DE-SC0019245" }, { "agency": "Resnick Sustainability Institute" } ] }, "local_group": { "items": [ { "id": "IQIM" }, { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.48550/arXiv.arXiv.2205.11860", "primary_object": { "basename": "2205.11860.pdf", "url": "https://authors.library.caltech.edu/records/g5ns4-9rc08/files/2205.11860.pdf" }, "pub_year": "2022", "author_list": "Yu, Phelan; Lopez, Adrian; et el." }, { "id": "https://authors.library.caltech.edu/records/htx5s-vyf77", "eprint_id": 115144, "eprint_status": "archive", "datestamp": "2023-08-20 07:57:11", "lastmod": "2023-10-24 15:25:21", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Johansen-Christian-M", "name": { "family": "Johansen", "given": "Christian M." } }, { "id": "Boyd-Emily-A", "name": { "family": "Boyd", "given": "Emily A." }, "orcid": "0000-0003-0150-5396" }, { "id": "Peters-J-C", "name": { "family": "Peters", "given": "Jonas C." }, "orcid": "0000-0002-6610-4414" } ] }, "title": "Photoinduced transfer hydrogenation of nitrogen to ammonia using a Mo-catalyst and a Hantzsch ester donor is demonstrated with and without an Ir-photoredox co-catalyst", "ispublished": "unpub", "full_text_status": "public", "note": "The content is available under CC BY NC ND 4.0 License. \n\nWe thank the Dow Next Generation Educator Fund and Instrumentation Grants for their support of the NMR facility at Caltech. The Beckman Institute Laser Resource Center and Jay R. Winkler are acknowledged for providing support with steady-state luminescence experiments. We also thank the Resnick Sustainability Institute Water and 5 Environment Laboratory (WEL) at Caltech for the use of their instrumentation. \n\nFunding: National Institutes of Health (R01 GM-075757) \nEAB acknowledges the support of the National Science Foundation for a Graduate Research Fellowship under Grant No. DGE\u20101745301 \n\nAuthors declare that they have no competing interests. \n\nData and materials availability: All data are available in the main text or the supporting information.\n\nSupplemental Material - supporting-information.pdf
", "abstract": "Whereas photoredox catalysis using molecular systems enjoys considerable utility in small molecule transformations and reactions relevant to organic synthesis, to date there are no related examples of photodriven catalytic nitrogen fixation. We wondered whether a photoinduced transfer hydrogenation strategy might provide a viable pathway toward such a reaction. Hantzsch esters (and related organic structures) offer an opportunity for catalysis design in this context as they can behave as photoreductants, though to our knowledge they had yet to be shown to be compatible with such a redox intensive process (6 e\u207b/6 H\u207a). In the present study we demonstrate that fully reduced Hantzsch esters (abbreviated as HEH2) successively deliver stored H\u2082-equivalents to N\u2082, producing NH\u2083 catalytically, in the presence of a molecular precatalyst (Mo) under blue-light irradiation but otherwise ambient conditions. While not required for the observed photocatalysis, the addition of a photoredox catalyst (Ir) to the reaction mixture enhances both the rate and turnover number of the net transformation. Encouraging with respect to future studies toward recycling the donor, electrochemically or via hydrogenation, other N-heterocycle H\u2082-donors are also compatible with catalysis in the presence of the photoredox catalyst. The reduction of N\u2082 to NH\u2083 by HEH\u2082 or H\u2082 are thermodynamically very similar (\u0394\u0394G_f(NH\u2083) = 1.8 kcal mol\u207b\u00b9 in acetonitrile). However, whereas the combination of H\u2082 with N\u2082 to produce NH\u2083 is accomplished via high temperature and pressure over a metal catalyst, the needed overpotential to drive the reduction of N\u2082 by HEH\u2082 can instead be derived from light. This study hence illustrates a promising photoredox catalysis approach toward deep reduction of robust small molecule substrates via photoinduced transfer hydrogenation, with the complete reduction of the triple bond of N\u2082 providing a vivid example.", "date": "2022-06-15", "date_type": "published", "id_number": "CaltechAUTHORS:20220614-222105000", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20220614-222105000", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Dow Next Generation Educator Fund" }, { "agency": "Resnick Sustainability Institute" }, { "agency": "NSF Graduate Research Fellowship", "grant_number": "DGE-1745301" }, { "agency": "NIH", "grant_number": "R01 GM-075757" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.26434/chemrxiv-2022-sn16v", "primary_object": { "basename": "photoinduced-transfer-hydrogenation-of-nitrogen-to-ammonia-using-a-mo-catalyst-and-a-hantzsch-ester-donor-is-demonstrated-with-and-without-an-ir-photoredox-co-catalyst.pdf", "url": "https://authors.library.caltech.edu/records/htx5s-vyf77/files/photoinduced-transfer-hydrogenation-of-nitrogen-to-ammonia-using-a-mo-catalyst-and-a-hantzsch-ester-donor-is-demonstrated-with-and-without-an-ir-photoredox-co-catalyst.pdf" }, "related_objects": [ { "basename": "supporting-information.pdf", "url": "https://authors.library.caltech.edu/records/htx5s-vyf77/files/supporting-information.pdf" } ], "pub_year": "2022", "author_list": "Johansen, Christian M.; Boyd, Emily A.; et el." }, { "id": "https://authors.library.caltech.edu/records/eweb1-3wn20", "eprint_id": 114901, "eprint_status": "archive", "datestamp": "2023-08-20 04:48:44", "lastmod": "2023-10-24 15:15:12", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "de-Hoop-Maarten-V", "name": { "family": "de Hoop", "given": "Maarten V." }, "orcid": "0000-0002-6333-0379" }, { "id": "Kovachki-Nikola-B", "name": { "family": "Kovachki", "given": "Nikola B." }, "orcid": "0000-0002-3650-2972" }, { "id": "Nelsen-Nicholas-H", "name": { "family": "Nelsen", "given": "Nicholas H." }, "orcid": "0000-0002-8328-1199" }, { "id": "Stuart-A-M", "name": { "family": "Stuart", "given": "Andrew M." }, "orcid": "0000-0001-9091-7266" } ] }, "title": "Convergence Rates for Learning Linear Operators from Noisy Data", "ispublished": "unpub", "full_text_status": "public", "keywords": "operator regression, linear inverse problems, Bayesian inference, posterior consistency, learning theory", "note": "The authors thank Kamyar Azizzadenesheli and Joel A. Tropp for helpful discussions about statistical learning. The computations presented in this paper were conducted on the Resnick High Performance Computing Center, a facility supported by the Resnick Sustainability Institute at the California Institute of Technology. \n\nMVdH is supported by the Simons Foundation under the MATH + X program, U.S. Department of Energy, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division under grant number DE-SC0020345, the National Science Foundation (NSF) under grant DMS-1815143, and the corporate members of the Geo-Mathematical Imaging Group at Rice University. NHN is supported by the NSF Graduate Research Fellowship Program under grant DGE-1745301. AMS is supported by NSF (grant DMS-1818977). NBK, NHN, and AMS are supported by NSF (grant AGS-1835860) and ONR (grant N00014-19-1-2408).\n\nSubmitted - 2108.12515.pdf
", "abstract": "We study the Bayesian inverse problem of learning a linear operator on a Hilbert space from its noisy pointwise evaluations on random input data. Our framework assumes that this target operator is self-adjoint and diagonal in a basis shared with the Gaussian prior and noise covariance operators arising from the imposed statistical model and is able to handle target operators that are compact, bounded, or even unbounded. We establish posterior contraction rates with respect to a family of Bochner norms as the number of data tend to infinity and derive related lower bounds on the estimation error. In the large data limit, we also provide asymptotic convergence rates of suitably defined excess risk and generalization gap functionals associated with the posterior mean point estimator. In doing so, we connect the posterior consistency results to nonparametric learning theory. Furthermore, these convergence rates highlight and quantify the difficulty of learning unbounded linear operators in comparison with the learning of bounded or compact ones. Numerical experiments confirm the theory and demonstrate that similar conclusions may be expected in more general problem settings.", "date": "2022-05-24", "date_type": "published", "publisher": "arXiv", "id_number": "CaltechAUTHORS:20220524-180322099", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20220524-180322099", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Simons Foundation" }, { "agency": "Department of Energy (DOE)", "grant_number": "DE-SC0020345" }, { "agency": "NSF", "grant_number": "DMS-1815143" }, { "agency": "Rice University" }, { "agency": "NSF Graduate Research Fellowship", "grant_number": "DGE-1745301" }, { "agency": "NSF", "grant_number": "DMS-1818977" }, { "agency": "NSF", "grant_number": "AGS-1835860" }, { "agency": "Office of Naval Research (ONR)", "grant_number": "N00014-19-1-2408" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.48550/arXiv.2108.12515", "primary_object": { "basename": "2108.12515.pdf", "url": "https://authors.library.caltech.edu/records/eweb1-3wn20/files/2108.12515.pdf" }, "pub_year": "2022", "author_list": "de Hoop, Maarten V.; Kovachki, Nikola B.; et el." }, { "id": "https://authors.library.caltech.edu/records/h6c4h-7g059", "eprint_id": 114834, "eprint_status": "archive", "datestamp": "2023-08-20 07:33:44", "lastmod": "2023-10-23 15:24:11", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Oral-Elif", "name": { "family": "Oral", "given": "Elif" }, "orcid": "0000-0003-1081-5580" }, { "id": "Ampuero-J-P", "name": { "family": "Ampuero", "given": "Jean Paul" }, "orcid": "0000-0002-4827-7987" }, { "id": "Ruiz-Javier-A", "name": { "family": "Ruiz", "given": "Javier" } }, { "id": "Asimaki-D", "name": { "family": "Asimaki", "given": "Domniki" }, "orcid": "0000-0002-3008-8088" } ] }, "title": "A method to generate initial fault stresses for physics-based ground motion prediction consistent with regional seismicity", "ispublished": "unpub", "full_text_status": "public", "note": "This work has been supported by the French government, through the UCAJEDI Investments in the Future project managed by the National Research Agency (ANR) with the reference number ANR-15-IDEX-01, Southern California Earthquake Center award 21010, and the California Institute of Technology. The computations presented here were conducted in the Thera cluster of Geoazur, and the Resnick High Performance Computing Center, a facility supported by Resnick Sustainability Institute at the California Institute of Technology. We acknowledge Caroline Ramel for IT support, and SCEC DRV benchmark participants and Yihe Huang for valuable discussions. \n\nData and resources. SPECFEM3D is available at https://github.com/geodynamics/specfem3d/tree/devel. The modifications that we made can be found https://github.com/elifo/specfem3d upon the publication of our manuscript. The supplemental material includes one section of homogeneous models and thirty figures.\n\nSubmitted - essoar.10511188.2.pdf
Supplemental Material - si_oral_et_al_2022.pdf
", "abstract": "Near-field ground motion is the major blind spot of seismic hazard studies, mainly because of the challenges in accounting for source effects. Initial stress heterogeneity is an important component of physics-based approaches to ground motion prediction that represent source effects through dynamic earthquake rupture modeling. We hypothesize that stress heterogeneity on a fault primarily originates from past background seismicity. We develop a new method to generate stochastic stress distributions as a superposition of residual stresses left by previous ruptures that are consistent with regional distributions of earthquake size and hypocentral depth. We validate our method on M_w 7 earthquake models suitable for California, by obtaining a satisfactory agreement with empirical earthquake scaling laws and ground motion prediction equations. To avoid the excessive seismic radiation produced by dynamic models with abrupt arrest at preset rupture borders,\nwe achieve spontaneous rupture arrest by incorporating a scale-dependent fracture energy adjusted with fracture mechanics theory. Our analyses of rupture and ground motion reveal particular signatures of the initial stress heterogeneity: rupture can locally propagate at supershear speed near the highly-stressed areas; the position of high-stress and low-stress areas due to initial stress heterogeneity determines how the peak ground motion amplitudes and polarization spatially vary along the fault, as low-stress areas slows down the rupture, decrease stress drop, and change the radiation distribution before the rupture arrest. We also find that the medium stratification amplifies the moment rate spectrum at frequencies above 2 Hz, which requires understanding the interaction between site effects and rupture dynamics; therefore, we highlight the need to consider a realistic fault medium on future studies of rupture dynamics. Our approach advances our understanding of the relations between dynamic features of earthquake ruptures and the statistics of regional seismicity, and our capability to model source effects for near-field ground motion prediction studies.", "date": "2022-05-23", "date_type": "published", "id_number": "CaltechAUTHORS:20220520-388187000", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20220520-388187000", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Agence Nationale pour la Recherche (ANR)", "grant_number": "ANR-15-IDEX-01" }, { "agency": "Southern California Earthquake Center (SCEC)", "grant_number": "21010" }, { "agency": "Caltech" } ] }, "local_group": { "items": [ { "id": "Seismological-Laboratory" }, { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.1002/essoar.10511188.2", "primary_object": { "basename": "essoar.10511188.2.pdf", "url": "https://authors.library.caltech.edu/records/h6c4h-7g059/files/essoar.10511188.2.pdf" }, "related_objects": [ { "basename": "si_oral_et_al_2022.pdf", "url": "https://authors.library.caltech.edu/records/h6c4h-7g059/files/si_oral_et_al_2022.pdf" } ], "pub_year": "2022", "author_list": "Oral, Elif; Ampuero, Jean Paul; et el." }, { "id": "https://authors.library.caltech.edu/records/0hra7-bpz08", "eprint_id": 114160, "eprint_status": "archive", "datestamp": "2023-08-20 07:28:03", "lastmod": "2023-10-23 23:23:19", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Cole-Elijah", "name": { "family": "Cole", "given": "Elijah" }, "orcid": "0000-0001-6623-0966" }, { "id": "Yang-Xuan", "name": { "family": "Yang", "given": "Xuan" } }, { "id": "Wilber-Kimberly", "name": { "family": "Wilber", "given": "Kimberly" }, "orcid": "0000-0001-7040-0251" }, { "id": "Mac-Aodha-Oisin", "name": { "family": "Mac Aodha", "given": "Oisin" }, "orcid": "0000-0002-5787-5073" }, { "id": "Belongie-Serge", "name": { "family": "Belongie", "given": "Serge" }, "orcid": "0000-0002-0388-5217" } ] }, "title": "When Does Contrastive Visual Representation Learning Work?", "ispublished": "unpub", "full_text_status": "public", "note": "We thank Mason McGill for detailed feedback, and Grant Van Horn, Christine Kaeser-Chen, Yin Cui, Sergey Ioffe, Pietro Perona, and the rest of the Perona Lab for insightful discussions. This work was supported by the Caltech Resnick Sustainability Institute, an NSF Graduate Research Fellowship (grant number DGE1745301), and the Pioneer Centre for AI (DNRF grant number P1).\n\nAccepted Version - 2105.05837.pdf
", "abstract": "Recent self-supervised representation learning techniques have largely closed the gap between supervised and unsupervised learning on ImageNet classification. While the particulars of pretraining on ImageNet are now relatively well understood, the field still lacks widely accepted best practices for replicating this success on other datasets. As a first step in this direction, we study contrastive self-supervised learning on four diverse large-scale datasets. By looking through the lenses of data quantity, data domain, data quality, and task granularity, we provide new insights into the necessary conditions for successful self-supervised learning. Our key findings include observations such as: (i) the benefit of additional pretraining data beyond 500k images is modest, (ii) adding pretraining images from another domain does not lead to more general representations, (iii) corrupted pretraining images have a disparate impact on supervised and self-supervised pretraining, and (iv) contrastive learning lags far behind supervised learning on fine-grained visual classification tasks.", "date": "2022-04-06", "date_type": "published", "publisher": "arXiv", "id_number": "CaltechAUTHORS:20220406-160758984", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20220406-160758984", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Resnick Sustainability Institute" }, { "agency": "NSF Graduate Research Fellowship", "grant_number": "DGE-1745301" }, { "agency": "Danish National Research Foundation", "grant_number": "DNRF-P1" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.48550/arXiv.2105.05837", "primary_object": { "basename": "2105.05837.pdf", "url": "https://authors.library.caltech.edu/records/0hra7-bpz08/files/2105.05837.pdf" }, "pub_year": "2022", "author_list": "Cole, Elijah; Yang, Xuan; et el." }, { "id": "https://authors.library.caltech.edu/records/q40ve-64h03", "eprint_id": 114134, "eprint_status": "archive", "datestamp": "2023-08-20 07:21:57", "lastmod": "2023-10-23 15:16:25", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Lopez-Gomez-Ignacio", "name": { "family": "Lopez-Gomez", "given": "Ignacio" }, "orcid": "0000-0002-7255-5895" }, { "id": "Christopoulos-Costa-D", "name": { "family": "Christopoulos", "given": "Costa" }, "orcid": "0000-0002-8552-465X" }, { "id": "Ervik-Haakon-L-L", "name": { "family": "Ervik", "given": "Haakon Ludvig Langeland" }, "orcid": "0000-0003-2912-5774" }, { "id": "Dunbar-Oliver-R-A", "name": { "family": "Dunbar", "given": "Oliver R. A." }, "orcid": "0000-0001-7374-0382" }, { "id": "Cohen-Yair", "name": { "family": "Cohen", "given": "Yair" }, "orcid": "0000-0002-9615-2476" }, { "id": "Schneider-T", "name": { "family": "Schneider", "given": "Tapio" }, "orcid": "0000-0001-5687-2287" } ] }, "title": "Training physics-based machine-learning parameterizations with gradient-free ensemble Kalman methods", "ispublished": "unpub", "full_text_status": "public", "note": "License: Attribution 4.0 International. \n\nSubmission History: [v1] Sat, 26 Mar 2022 17:32:48 (883.1 KB); [v2] Wed, 22 Jun 2022 16:15:12 (919.4 KB). \n\nWe thank Daniel Z. Huang and Zhaoyi Shen for insightful discussions, and Julien Brajard and an anonymous reviewer for prompting a clearer and more precise formulation of the problem and methods discussed in this study. I.L. was supported by a fellowship from the Resnick Sustainability Institute at Caltech, and an Amazon AI4Science fellowship. H.L.L.E was supported by an Aker scholarship and a Fulbright fellowship. \n\nThis research was additionally supported by the generosity of Eric and Wendy Schmidt by recommendation of the Schmidt Futures program, by the National Science Foundation (grant AGS-1835860), by the Defense Advanced Research Projects Agency (Agreement No. HR00112290030), and by the Heising-Simons Foundation. Part of this research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration. The software package implementing ensemble Kalman methods can be accessed at https://doi.org/10.5281/zenodo.6382968, the one implementing the EDMF scheme at https://doi..org/10.5281/zenodo.6392397, and the software used to calibrate the EDMF scheme may be accessed at https://doi.org/10.5281/zenodo.6382865. The data from Shen et al. (2022) used for model training is available at https://doi.org/10.22002/D1.20052.\n\nSubmitted - essoar.10510937.2.pdf
", "abstract": "Most machine learning applications in Earth system modeling currently rely on gradient-based supervised learning. This imposes stringent constraints on the nature of the data used for training (typically, residual time tendencies are needed), and it complicates learning about the interactions between machine-learned parameterizations and other components of an Earth system model.\nApproaching learning about process-based parameterizations as an inverse problem resolves many of these issues, since it allows parameterizations to be trained with partial observations or statistics that directly relate to quantities of interest in long-term climate projections. Here we demonstrate the effectiveness of Kalman inversion methods in treating learning about parameterizations as an inverse problem. We consider two different algorithms: unscented and ensemble Kalman inversion. Both methods involve highly parallelizable forward model evaluations, converge exponentially fast, and do not require gradient computations. In addition, unscented Kalman inversion provides a measure of parameter uncertainty.\n We illustrate how training parameterizations can be posed as a regularized inverse problem and solved by ensemble Kalman methods through the calibration of an eddy-diffusivity mass-flux scheme for subgrid-scale turbulence and convection, using data generated by large-eddy simulations. We find the algorithms amenable to batching strategies, robust to noise and model failures, and efficient in the calibration of hybrid parameterizations that can include empirical closures and neural networks.", "date": "2022-04-01", "date_type": "published", "id_number": "CaltechAUTHORS:20220331-531674000", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20220331-531674000", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Resnick Sustainability Institute" }, { "agency": "Amazon AI4Science Fellowship" }, { "agency": "Aker Scholarship Foundation" }, { "agency": "Fulbright Foundation" }, { "agency": "Schmidt Futures Program" }, { "agency": "NSF", "grant_number": "AGS-1835860" }, { "agency": "Defense Advanced Research Projects Agency (DARPA)", "grant_number": "HR00112290030" }, { "agency": "Heising-Simons Foundation" }, { "agency": "NASA/JPL/Caltech" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" }, { "id": "Division-of-Geological-and-Planetary-Sciences" } ] }, "doi": "10.1002/essoar.10510937.2", "primary_object": { "basename": "essoar.10510937.2.pdf", "url": "https://authors.library.caltech.edu/records/q40ve-64h03/files/essoar.10510937.2.pdf" }, "pub_year": "2022", "author_list": "Lopez-Gomez, Ignacio; Christopoulos, Costa; et el." }, { "id": "https://authors.library.caltech.edu/records/2kb3w-53552", "eprint_id": 113922, "eprint_status": "archive", "datestamp": "2023-08-20 07:17:04", "lastmod": "2023-10-23 23:16:33", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Brennon-Bradley-J", "name": { "family": "Brennon", "given": "Bradley" } }, { "id": "Ngo-Danh-X", "name": { "family": "Ngo", "given": "Danh X." }, "orcid": "0000-0001-6984-2538" }, { "id": "Kramer-Wesley-W", "name": { "family": "Kramer", "given": "Wesley W." }, "orcid": "0000-0002-1359-0519" } ] }, "title": "Pendent trifluoroethanol reveals solvation dependent mechanisms of electrocatalytic CO\u2082 reduction by rhenium(I) bipyridine fac-tricarbonyl", "ispublished": "unpub", "full_text_status": "public", "note": "The content is available under CC BY NC ND 4.0 License.\n\nWe acknowledged Harry Gray for his unwavering support and exceptional mentorship. We thank Larry Henling, Michael Takase, David VanderVelde, Mona Shahgholi, and Naseem Torian for experimental assistance and discussions. \n\nThis work was performed in the lab of Prof. Harry B. Gray and funded by NSF CCI Solar Fuels (CHE-130124). Additional support was provided by the Resnick Sustainability Institute at Caltech and a Dr. and Mrs. Daniel C. Harris SURF Fellowship. \n\nThe authors declare no competing financial interest.\n\nThe author(s) declare that they have sought and gained approval from the relevant ethics committee/IRB for this research and its publication.\n\nSupplemental Material - supporting-information.pdf
", "abstract": "Local proton sources capable of interacting with catalytic intermediates have been shown to affect proton-dependent reactions. Herein we report the synthesis of a Re(diimine)(CO)\u2083Cl catalyst analog containing a trifluoroethanol-appended bipyridine ligand (bpy-CF\u2083OH), and the corresponding methyl-ether (bpy-CF\u2083OMe) to study the role of the pendent proton donor in electrocatalytic CO\u2082 reduction. Compared to the parent catalyst, Re(bpy)(CO)\u2083Cl, and Re(bpy-CF\u2083OMe)(CO)\u2083Cl, the alcohol analog revealed additional electrocatalytic features and a 200 mV anodic shift in catalytic onset potential. We also show evidence of proton-coupled electron transfer or hydrogen bond-assisted catalysis in all analogs, detailed by a progressive anodic shift in the main catalytic wave with increasing [H\u2082O] which displays slopes of ~120 mV log[H\u2082O]\u207b\u00b9. Multiple catalytic mechanisms appeared to occur simultaneously in all the analogs, and attempts were made to differentiate their dependence on [H\u2082O] and [CO\u2082]. The effect of a local proton source is significant under conditions where [H\u2082O] < 1 M but becomes negligible at high [H\u2082O]. These results suggest that the appended alcohol affects the solvation of the molecule, and may act directly as a proton source or as part of a proton shuttle.", "date": "2022-03-16", "date_type": "published", "id_number": "CaltechAUTHORS:20220315-626291000", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20220315-626291000", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "NSF", "grant_number": "CHE-130124" }, { "agency": "Resnick Sustainability Institute" }, { "agency": "Caltech Summer Undergraduate Research Fellowship (SURF)" }, { "agency": "Dr. and Mrs. Daniel C. Harris" } ] }, "local_group": { "items": [ { "id": "CCI-Solar-Fuels" }, { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.26434/chemrxiv-2022-480fn", "primary_object": { "basename": "pendent-trifluoroethanol-reveals-solvation-dependent-mechanisms-of-electrocatalytic-co2-reduction-by-rhenium-i-bipyridine-fac-tricarbonyl.pdf", "url": "https://authors.library.caltech.edu/records/2kb3w-53552/files/pendent-trifluoroethanol-reveals-solvation-dependent-mechanisms-of-electrocatalytic-co2-reduction-by-rhenium-i-bipyridine-fac-tricarbonyl.pdf" }, "related_objects": [ { "basename": "supporting-information.pdf", "url": "https://authors.library.caltech.edu/records/2kb3w-53552/files/supporting-information.pdf" } ], "pub_year": "2022", "author_list": "Brennon, Bradley; Ngo, Danh X.; et el." }, { "id": "https://authors.library.caltech.edu/records/776rz-7z975", "eprint_id": 113795, "eprint_status": "archive", "datestamp": "2023-08-20 07:14:56", "lastmod": "2023-12-22 23:33:39", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Chure-Griffin-D", "name": { "family": "Chure", "given": "Griffin" }, "orcid": "0000-0002-2216-2057" }, { "id": "Banks-Rachel-A", "name": { "family": "Banks", "given": "Rachel A." }, "orcid": "0000-0003-2028-2925" }, { "id": "Flamholz-Avi-I", "name": { "family": "Flamholz", "given": "Avi I." }, "orcid": "0000-0002-9278-5479" }, { "id": "Sarai-Nicholas-S", "name": { "family": "Sarai", "given": "Nicholas S." }, "orcid": "0000-0002-4655-0038" }, { "id": "Kamb-Mason", "name": { "family": "Kamb", "given": "Mason" }, "orcid": "0000-0001-8036-7221" }, { "id": "Lopez-Gomez-Ignacio", "name": { "family": "Lopez-Gomez", "given": "Ignacio" }, "orcid": "0000-0002-7255-5895" }, { "id": "Bar-On-Yinon-M", "name": { "family": "Bar-On", "given": "Yinon" }, "orcid": "0000-0001-8477-609X" }, { "id": "Milo-Ron", "name": { "family": "Milo", "given": "Ron" }, "orcid": "0000-0003-1641-2299" }, { "id": "Phillips-R", "name": { "family": "Phillips", "given": "Rob" }, "orcid": "0000-0003-3082-2809" } ] }, "title": "Anthroponumbers.org: A Quantitative Database Of Human Impacts on Planet Earth", "ispublished": "unpub", "full_text_status": "public", "note": "The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY 4.0 International license. \n\nThe authors have declared no competing interest.\n\nSubmitted - 2022.03.04.483053v1.full.pdf
Supplemental Material - media-1.pdf
Supplemental Material - media-2.pdf
", "abstract": "Over the last 10,000 years, human activities have transformed the Earth through farming, forestry, mining and industry. The complex results of these activities are now observed and quantified as \"human impacts\" on Earth's atmosphere, oceans, biosphere and geochemistry. While myriad studies have explored facets of human impacts on the planet, they are necessarily technical and often tightly-focused. Thus, finding reliable quantitative information requires a significant investment of time to assess each quantity, its methods of determination, and associated uncertainty. We present the Human Impacts Database (www.anthroponumbers.org), which houses a diverse array of such quantities. We review a subset of these values and how they help build intuition for understanding the Earth-human system. While collation alone does not tell us how to best ameliorate human impacts, we contend that any future plans should be made in light of a quantitative understanding of the interconnected ways in which humans impact the planet.", "date": "2022-03-09", "date_type": "published", "id_number": "CaltechAUTHORS:20220308-543776000", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20220308-543776000", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" }, { "id": "Division-of-Biology-and-Biological-Engineering" } ] }, "doi": "10.1101/2022.03.04.483053", "primary_object": { "basename": "2022.03.04.483053v1.full.pdf", "url": "https://authors.library.caltech.edu/records/776rz-7z975/files/2022.03.04.483053v1.full.pdf" }, "related_objects": [ { "basename": "media-1.pdf", "url": "https://authors.library.caltech.edu/records/776rz-7z975/files/media-1.pdf" }, { "basename": "media-2.pdf", "url": "https://authors.library.caltech.edu/records/776rz-7z975/files/media-2.pdf" } ], "pub_year": "2022", "author_list": "Chure, Griffin; Banks, Rachel A.; et el." }, { "id": "https://authors.library.caltech.edu/records/4dsdm-4y873", "eprint_id": 113725, "eprint_status": "archive", "datestamp": "2023-08-20 06:59:08", "lastmod": "2023-10-23 23:12:31", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Ocegueda-Eric", "name": { "family": "Ocegueda", "given": "Eric" }, "orcid": "0000-0001-7845-6890" }, { "id": "Bhattacharya-K", "name": { "family": "Bhattacharya", "given": "Kaushik" }, "orcid": "0000-0003-2908-5469" } ] }, "title": "Interaction between deformation twinning and dislocation slip in polycrystalline solids", "ispublished": "unpub", "full_text_status": "public", "note": "Attribution 4.0 International (CC BY 4.0) \n\nWe gratefully acknowledge the support of the US Army Research Laboratory through Cooperative Agreement Number W911NF-12-2-0022 and the US National Science Foundation through \"Collaborative Research: Optimal Design of Responsive Materials and Structures\" (DMS-2009289). The views and conclusions contained in this document are those of the authors and should not be interpreted as representing the official policies, either expressed or implied, of the Army Research Laboratory or the U.S. Government. The U.S. Government is authorized to reproduce and distribute reprints for Government purposes notwithstanding any copyright notation herein. The computations presented here were conducted on the Resnick High Performance Cluster at the California Institute of Technology.\n\nSubmitted - 2202.02908.pdf
", "abstract": "Deformation twinning is a form of permanent deformation that is commonly observed in low symmetry crystals such as hexagonal close-packed (hcp) metals. With recent increased interest in using hcp metals, such as magnesium, in structural, automotive, and armor applications due to their high strength to weight ratio, there is a need for a comprehensive understanding of deformation twinning and its interaction with dislocation slip. A great deal has been learned at the microscopic level where individual dislocations interact with twin boundaries through atomistic simulations, and at the macroscopic level by ignoring morphology and treating twinning as `pseudo-slip'. However, twins form collectively across multiple grains with complex morphology that affects the bulk behavior. These mesoscale aspects have been less studied and are the focus of this paper. We present a model that describes the twin and slip morphology, its evolution, and interactions in a unified manner at the scale of several grains and use it to study the implications on macroscopic behavior. The key ideas are to combine a phase-field model of twinning with a crystal plasticity model of slip, and to implement it in parallel on graphic processing units for fast computations.", "date": "2022-03-07", "date_type": "published", "publisher": "arXiv", "id_number": "CaltechAUTHORS:20220304-171248075", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20220304-171248075", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Army Research Laboratory", "grant_number": "W911NF-12-2-0022" }, { "agency": "NSF", "grant_number": "DMS-2009289" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.48550/arXiv.2202.02908", "primary_object": { "basename": "2202.02908.pdf", "url": "https://authors.library.caltech.edu/records/4dsdm-4y873/files/2202.02908.pdf" }, "pub_year": "2022", "author_list": "Ocegueda, Eric and Bhattacharya, Kaushik" }, { "id": "https://authors.library.caltech.edu/records/memc7-9g637", "eprint_id": 113577, "eprint_status": "archive", "datestamp": "2023-08-20 04:09:35", "lastmod": "2023-12-22 23:33:32", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Beery-Sara", "name": { "family": "Beery", "given": "Sara" }, "orcid": "0000-0002-2544-1844" }, { "id": "Cole-Elijah", "name": { "family": "Cole", "given": "Elijah" } }, { "id": "Parker-J", "name": { "family": "Parker", "given": "Joseph" }, "orcid": "0000-0001-9598-2454" }, { "id": "Perona-P", "name": { "family": "Perona", "given": "Pietro" }, "orcid": "0000-0002-7583-5809" }, { "id": "Winner-Kevin", "name": { "family": "Winner", "given": "Kevin" } } ] }, "title": "Species Distribution Modeling for Machine Learning Practitioners: A Review", "ispublished": "unpub", "full_text_status": "public", "keywords": "species distribution modeling, ecological niche modeling, machine learning", "note": "Our research for this paper included informational interviews with Meredith Palmer, Michael Tabak, Corrie Moreau, and Carrie Seltzer. Their insights into the unique challenges of species distribution modeling was invaluable. This work was supported in part by the Caltech Resnick Sustainability Institute and NSFGRFP Grant No. 1745301. The views expressed in this work are those of the authors and do not necessarily reflect the views of the NSF.\n\nSubmitted - 2107.10400.pdf
", "abstract": "Conservation science depends on an accurate understanding of what's happening in a given ecosystem. How many species live there? What is the makeup of the population? How is that changing over time? Species Distribution Modeling (SDM) seeks to predict the spatial (and sometimes temporal) patterns of species occurrence, i.e. where a species is likely to be found. The last few years have seen a surge of interest in applying powerful machine learning tools to challenging problems in ecology. Despite its considerable importance, SDM has received relatively little attention from the computer science community. Our goal in this work is to provide computer scientists with the necessary background to read the SDM literature and develop ecologically useful ML-based SDM algorithms. In particular, we introduce key SDM concepts and terminology, review standard models, discuss data availability, and highlight technical challenges and pitfalls.", "date": "2022-03-01", "date_type": "published", "publisher": "arXiv", "id_number": "CaltechAUTHORS:20220224-200801611", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20220224-200801611", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Resnick Sustainability Institute" }, { "agency": "NSF Graduate Research Fellowship", "grant_number": "DGE-1745301" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" }, { "id": "Division-of-Biology-and-Biological-Engineering" } ] }, "doi": "10.48550/arXiv.2107.10400", "primary_object": { "basename": "2107.10400.pdf", "url": "https://authors.library.caltech.edu/records/memc7-9g637/files/2107.10400.pdf" }, "pub_year": "2022", "author_list": "Beery, Sara; Cole, Elijah; et el." }, { "id": "https://authors.library.caltech.edu/records/kqp91-q9v09", "eprint_id": 113099, "eprint_status": "archive", "datestamp": "2023-08-20 06:50:25", "lastmod": "2023-12-22 23:33:28", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Metskas-Lauren-Ann", "name": { "family": "Metskas", "given": "Lauren Ann" }, "orcid": "0000-0002-8073-6960" }, { "id": "Ortega-Davi-R", "name": { "family": "Ortega", "given": "Davi" }, "orcid": "0000-0002-8344-2335" }, { "id": "Oltrogge-Luke-M", "name": { "family": "Oltrogge", "given": "Luke M." }, "orcid": "0000-0001-5716-9980" }, { "id": "Blikstad-Cecilia", "name": { "family": "Blikstad", "given": "Cecilia" }, "orcid": "0000-0001-5740-926X" }, { "id": "Laughlin-Thomas-G", "name": { "family": "Laughlin", "given": "Tom" }, "orcid": "0000-0001-8943-1330" }, { "id": "Savage-David-F", "name": { "family": "Savage", "given": "David F." }, "orcid": "0000-0003-0042-2257" }, { "id": "Jensen-G-J", "name": { "family": "Jensen", "given": "Grant J." }, "orcid": "0000-0003-1556-4864" } ] }, "title": "Rubisco forms a lattice inside alpha-carboxysomes", "ispublished": "unpub", "full_text_status": "public", "note": "The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. \n\nCryo electron microscopy was done in the Beckman Institute Resource Center for Transmission Electron Microscopy at Caltech, and subtomogram alignment and averaging used the Caltech Resnick High Performance Computing Center. We thank S. Chen and A. Malyutin for assistance with tomography data collection, and A. Burt for pseudocode to transition between Dynamo and Relion software packages. This work was supported by a Ruth L. Kirschstein NRSA Individual Postdoctoral Fellowship F32 1F32GM135994-01 to LAM, NIH R01GM129241 to DFS, and NIH R01 AI127401 to GJJ. \n\nAUTHOR CONTRIBUTIONS. CB and TL purified the carboxysomes. LAM performed cryo electron tomography and subtomogram averaging. LAM, DO, and LO analyzed the data. All authors designed research, interpreted results, and wrote the manuscript. \n\nThe authors have declared no competing interest.\n\nSubmitted - 2022.01.24.477598v1.full.pdf
", "abstract": "Bacteria employ microcompartments to sequester enzymatic processes, either for purposes of protecting cellular contents from reactive intermediates or as a way of increasing reaction efficiency. In these structures, a cargo of enzymes and accessory proteins is encased within a semi-permeable protein shell that permits passage of substrates and products but restricts movement of intermediates. In addition to their importance as a component of many bacterial species' metabolisms, microcompartments have recently become a target of protein engineering. The shells can be reassembled from purified proteins, and the full operons can be functionally expressed outside their native prokaryotes and can remain functional following purification. Despite the importance of microcompartments in prokaryotic biology and bioengineering, structural heterogeneity has prevented a complete understanding of their architecture, ultrastructure, and spatial organization. Here, we employ cryo electron tomography to image \u03b1-carboxysomes, a pseudo-icosahedral microcompartment responsible for carbon fixation. We have solved a high-resolution subtomogram average of the Rubisco cargo in situ, and determined a novel arrangement of the enzyme. We find that the H. neapolitanus Rubisco polymerizes in vivo, mediated by the small Rubisco subunit. These fibrils can further pack to form a lattice with six-fold pseudo-symmetry. This arrangement preserves freedom of motion and accessibility around the Rubisco active site and the binding sites for two other carboxysome proteins, CsoSCA (a carbonic anhydrase) and the disordered CsoS2, even at Rubisco concentrations exceeding 800 \u03bcM. This characterization of Rubisco cargo inside the \u03b1-carboxysome provides new insight into the balance between order and disorder in microcompartment organization.", "date": "2022-01-25", "date_type": "published", "publisher": "bioRxiv", "id_number": "CaltechAUTHORS:20220125-826785812", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20220125-826785812", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "NIH Postdoctoral Fellowship", "grant_number": "1F32GM135994-01" }, { "agency": "NIH", "grant_number": "R01GM129241" }, { "agency": "NIH", "grant_number": "R01 AI127401" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" }, { "id": "Division-of-Biology-and-Biological-Engineering" } ] }, "doi": "10.1101/2022.01.24.477598", "primary_object": { "basename": "2022.01.24.477598v1.full.pdf", "url": "https://authors.library.caltech.edu/records/kqp91-q9v09/files/2022.01.24.477598v1.full.pdf" }, "pub_year": "2022", "author_list": "Metskas, Lauren Ann; Ortega, Davi; et el." }, { "id": "https://authors.library.caltech.edu/records/5t4gb-0ym26", "eprint_id": 113072, "eprint_status": "archive", "datestamp": "2023-09-15 07:28:12", "lastmod": "2023-10-23 21:35:12", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "O'Rourke-Mathew-J", "name": { "family": "O'Rourke", "given": "Matthew J." }, "orcid": "0000-0002-5779-2577" }, { "id": "Chan-Garnet-K-L", "name": { "family": "Chan", "given": "Garnet Kin-Lic" }, "orcid": "0000-0001-8009-6038" } ] }, "title": "Entanglement in the quantum phases of an unfrustrated Rydberg atom array", "ispublished": "unpub", "full_text_status": "public", "note": "Attribution 4.0 International (CC BY 4.0).\n\nM.J.O. acknowledges financial support from a US National Science Foundation Graduate Research Fellowship via grant DEG-1745301. G.K.C. acknowledges support from the US National Science Foundation via grant no. 2102505. Computations were conducted in the Resnick High Performance Computing Center, supported by the Resnick Sustainability Institute at the California Institute of Technology. DMRG calculations were performed with the ITensor library [40]. PEPS calculations were performed using quimb [41] with PyTorch as the backend [42].\n\nSubmitted - 2201.03189.pdf
", "abstract": "We report on the ground state phase diagram of interacting Rydberg atoms in the unfrustrated square lattice array. Using new tensor network algorithms, we scale to large systems in two dimensions while including all long-range interactions, revealing the phases in the bulk and their analogs in accessible finite arrays. We find a greatly altered phase diagram from earlier numerical and experimental studies, and in particular, we uncover an emergent entangled quantum nematic phase that appears in the absence of frustration. Broadly our results yield a conceptual guide for future experiments, while our techniques provide a blueprint for converging numerical studies in other lattices.", "date": "2022-01-24", "date_type": "published", "publisher": "arXiv", "id_number": "CaltechAUTHORS:20220124-192927318", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20220124-192927318", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "NSF Graduate Research Fellowship", "grant_number": "DGE-1745301" }, { "agency": "NSF", "grant_number": "2102505" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.48550/arXiv.2201.03189", "primary_object": { "basename": "2201.03189.pdf", "url": "https://authors.library.caltech.edu/records/5t4gb-0ym26/files/2201.03189.pdf" }, "pub_year": "2022", "author_list": "O'Rourke, Matthew J. and Chan, Garnet Kin-Lic" }, { "id": "https://authors.library.caltech.edu/records/c7jvk-5zh07", "eprint_id": 113009, "eprint_status": "archive", "datestamp": "2023-08-20 06:20:12", "lastmod": "2023-10-23 15:34:03", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Cui-Zhi-Hao", "name": { "family": "Cui", "given": "Zhi-Hao" }, "orcid": "0000-0002-7389-4063" }, { "id": "Zhai-Huanchen", "name": { "family": "Zhai", "given": "Huanchen" }, "orcid": "0000-0003-0086-0388" }, { "id": "Zhang-Xing", "name": { "family": "Zhang", "given": "Xing" }, "orcid": "0000-0002-1892-1380" }, { "id": "Chan-Garnet-K-L", "name": { "family": "Chan", "given": "Garnet Kin-Lic" }, "orcid": "0000-0001-8009-6038" } ] }, "title": "Systematic electronic structure in the cuprate parent state from quantum many-body simulations", "ispublished": "unpub", "full_text_status": "public", "note": "This work was primarily supported by the US Department of Energy, Office of Science, via grant no. DE-SC18140. The DMRG calculations were performed using the Block2 code which was developed with funding from the US National Science Foundation, via CHE-2102505. G.K.-L.C. is a Simons Investigator in Physics and is supported by the Simons Collaboration on the Many-Electron Problem. Z.-H.C. acknowledges support from the Eddleman Quantum Institute through a graduate fellowship. Calculations were conducted in the Resnick High Performance Computing Center, supported by the Resnick Sustainability Institute at Caltech. Data used in this work are in the supplementary materials. The libDMET code is available at github.com/gkclab/libdmet_preview. The Block2 code is available at github.com/block-hczhai/block2-preview. PySCF is available from www.pyscf.org. Other codes are available from the authors upon reasonable request. \n\nSupplementary materials Sections 1-3. Detailed description of all methods, data, and analysis. Supplementary Tables S1-S16, Figure S1-S29, References 51-110.\n\nSubmitted - 2112.09735.pdf
", "abstract": "The quantitative description of correlated electron materials remains a modern computational challenge. We demonstrate a numerical strategy to simulate correlated materials at the fully ab initio level beyond the solution of effective low-energy models, and apply it to gain a detailed microscopic understanding across a family of cuprate superconducting materials in their parent undoped states. We uncover microscopic trends in the electron correlations and reveal the link between the material composition and magnetic energy scales via a many-body picture of excitation processes involving the buffer layers. Our work illustrates a path towards the quantitative and reliable understanding of more complex states of correlated materials at the ab initio many-body level.", "date": "2021-12-17", "date_type": "published", "publisher": "arXiv", "id_number": "CaltechAUTHORS:20220119-234000224", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20220119-234000224", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Department of Energy (DOE)", "grant_number": "DE-SC18140" }, { "agency": "NSF", "grant_number": "CHE-2102505" }, { "agency": "Simons Foundation" }, { "agency": "Eddleman Quantum Institute" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.48550/arXiv.2112.09735", "primary_object": { "basename": "2112.09735.pdf", "url": "https://authors.library.caltech.edu/records/c7jvk-5zh07/files/2112.09735.pdf" }, "pub_year": "2021", "author_list": "Cui, Zhi-Hao; Zhai, Huanchen; et el." }, { "id": "https://authors.library.caltech.edu/records/gb81e-r3t46", "eprint_id": 113008, "eprint_status": "archive", "datestamp": "2023-08-20 06:14:47", "lastmod": "2023-12-20 21:13:58", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Bhattacharya-K", "name": { "family": "Bhattacharya", "given": "Kaushik" }, "orcid": "0000-0003-2908-5469" }, { "id": "Gavini-Vikram", "name": { "family": "Gavini", "given": "Vikram" }, "orcid": "0000-0002-9451-2300" }, { "id": "Ortiz-M", "name": { "family": "Ortiz", "given": "Michael" }, "orcid": "0000-0001-5877-4824" }, { "id": "Ponga-Mauricio", "name": { "family": "Ponga", "given": "Mauricio" }, "orcid": "0000-0001-5058-1454" }, { "id": "Suryanarayana-Phanish", "name": { "family": "Suryanarayana", "given": "Phanish" }, "orcid": "0000-0001-5172-0049" } ] }, "title": "Accurate approximations of density functional theory for large systems with applications to defects in crystalline solids", "ispublished": "unpub", "full_text_status": "public", "note": "Attribution 4.0 International (CC BY 4.0).\n\nWe are grateful to Phani Motamarri for sharing the unpublished results shown in Table 1. We acknowledge the help of Arpit Bhardwaj, Sambit Das and Xin Jing in running some of the DFT-FE and SQ simulations, and generating the corresponding figures. KB, MO and MP acknowledge the support of the Army Research Laboratory under Cooperative Agreement Number W911NF-12-2-0022. VG acknowledges the support of the U.S. Department of Energy, Office of Science through grants DE-SC0008637 and DE-SC0017380. V.G. also gratefully acknowledges the support of the Army Research Office through the DURIP grant W911NF1810242. PS acknowledges support of the U.S. Department of Energy, Office of Science through grant DE-SC0019410. The computations presented here were conducted on the Resnick High Performance Cluster at Caltech, the Great Lakes High Performance Cluster at University of Michigan, the Oak Ridge Leadership Computing Facility, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory under contract DE-AC05-00OR22725, and the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The views and conclusions contained in this document are those of the authors and should not be interpreted as representing the official policies, either expressed or implied, of the Army Research Laboratory, Department of Energy, or the U.S. Government. The U.S. Government is authorized to reproduce and distribute reprints for Government purposes notwithstanding any copyright notation herein.\n\nSubmitted - 2112.06016.pdf
", "abstract": "This chapter presents controlled approximations of Kohn-Sham density functional theory (DFT) that enable very large scale simulations. The work is motivated by the study of defects in crystalline solids, though the ideas can be used in other applications. The key idea is to formulate DFT as a minimization problem over the density operator, and to cast spatial and spectral discretization as systematically convergent approximations. This enables efficient and adaptive algorithms that solve the equations of DFT with no additional modeling, and up to desired accuracy, for very large systems, with linear and sublinear scaling. Various approaches based on such approximations are presented, and their numerical performance demonstrated through selected examples. These examples also provide important insight about the mechanics and physics of defects in crystalline solids.", "date": "2021-12-11", "date_type": "published", "publisher": "arXiv", "id_number": "CaltechAUTHORS:20220119-233956787", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20220119-233956787", "funders": { "items": [ { "agency": "Army Research Laboratory", "grant_number": "W911NF-12-2-0022" }, { "agency": "Department of Energy (DOE)", "grant_number": "DE-SC0008637" }, { "agency": "Department of Energy (DOE)", "grant_number": "DE-SC0017380" }, { "agency": "Army Research Office (ARO)", "grant_number": "W911NF-18-1-0242" }, { "agency": "Department of Energy (DOE)", "grant_number": "DE-SC0019410" }, { "agency": "Department of Energy (DOE)", "grant_number": "DE-AC05-00OR22725" }, { "agency": "Department of Energy (DOE)", "grant_number": "DE-AC02-05CH11231" } ] }, "local_group": { "items": [ { "id": "GALCIT" }, { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.48550/arXiv.2112.06016", "primary_object": { "basename": "2112.06016.pdf", "url": "https://authors.library.caltech.edu/records/gb81e-r3t46/files/2112.06016.pdf" }, "pub_year": "2021", "author_list": "Bhattacharya, Kaushik; Gavini, Vikram; et el." }, { "id": "https://authors.library.caltech.edu/records/ekegm-9tt82", "eprint_id": 112351, "eprint_status": "archive", "datestamp": "2023-08-20 06:01:16", "lastmod": "2023-10-23 21:01:55", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Cagan-David-A", "name": { "family": "Cagan", "given": "David A." }, "orcid": "0000-0002-4719-2789" }, { "id": "B\u00edm-Daniel", "name": { "family": "B\u00edm", "given": "Daniel" }, "orcid": "0000-0003-3100-4293" }, { "id": "Silva-Breno", "name": { "family": "Silva", "given": "Breno" } }, { "id": "Kazmierczak-Nathanael-P", "name": { "family": "Kazmierczak", "given": "Nathanael P." }, "orcid": "0000-0002-7822-6769" }, { "id": "McNicholas-Brendon-J", "name": { "family": "McNicholas", "given": "Brendon" }, "orcid": "0000-0002-3654-681X" }, { "id": "Hadt-R-G", "name": { "family": "Hadt", "given": "Ryan G." }, "orcid": "0000-0001-6026-1358" } ] }, "title": "Elucidating the Mechanism of Excited State Bond Homolysis in Nickel\u2013Bipyridine Photoredox Catalysts", "ispublished": "unpub", "full_text_status": "public", "note": "The content is available under CC BY NC ND 4.0 License. \n\nD.A.C. is a National Science Foundation Graduate Research Fellow (DGE-1745301) and is supported by a National Academies of Science, Engineering, and Medicine Ford Foundation Predoctoral Fellowship. B.S. acknowledges funding through a Southern California Edison WAVE fellowship at Caltech. N.P.K. acknowledges support from the Hertz Fellowship and from the National Science Foundation Graduate Research Fellowship under Grant No. DGE-1745301. This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No. 883987 (D.B.). Support has been provided by the National Institutes of Health (National Institute of General Medical Sciences, R35\u2013GM142595). We also acknowledge M. K. Takase in the Beckman Institute X-ray crystallography facility. The computations presented here were conducted in the Resnick High Performance Computing Center, a facility supported by Resnick Sustainability Institute at the California Institute of Technology. \n\nThe author(s) have declared they have no conflict of interest with regard to this content. \n\nThe author(s) have declared ethics committee/IRB approval is not relevant to this content.\n\nSubmitted - 10.26434_chemrxiv-2021-g0dc2.pdf
Supplemental Material - supporting-information.pdf
", "abstract": "Ni 2,2'\u2013bipyridine (bpy) complexes are commonly employed photoredox catalysts of bond-forming reactions in organic chemistry. However, the mechanisms by which they operate are still under investigation. One potential mode of catalysis is via entry into Ni(I)/Ni(III) cycles, which can be made possible by light-induced, excited state Ni(II)\u2013C bond homolysis. Here we report experimental and computational analyses of a library of Ni(II)-bpy aryl halide complexes, Ni(Rbpy)(R\u2032Ph)Cl (R = MeO, t-Bu, H, MeOOC; R\u2032 = CH\u2083, H, OMe, F, CF\u2083), to illuminate the mechanism of excited state bond homolysis. At given excitation wavelengths, photochemical homolysis rates span two orders of magnitude across these structures and correlate linearly with Hammett parameters of both bpy and aryl ligands, reflecting structural control over key metal-to-ligand charge transfer (MLCT) and ligand-to-metal charge transfer (LMCT) excited state potential energy surfaces (PESs). Temperature- and wavelength-dependent investigations reveal moderate excited state barriers (\u0394H\u2021 ~4 kcal mol\u207b\u00b9) and a minimum energy excitation threshold (~55 kcal mol\u207b\u00b9, 525 nm), respectively. Correlations to electronic structure calculations further support a mechanism in which repulsive triplet excited state PESs featuring a critical aryl-to-Ni LMCT lead to bond rupture. Structural control over excited state PESs provides a rational approach to utilize photonic energy and leverage excited state bond homolysis processes in synthetic chemistry.", "date": "2021-12-10", "date_type": "published", "id_number": "CaltechAUTHORS:20211209-231174000", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20211209-231174000", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "NSF Graduate Research Fellowship", "grant_number": "DGE-1745301" }, { "agency": "Ford Foundation" }, { "agency": "Caltech WAVE Fellowship" }, { "agency": "Marie Curie Fellowship", "grant_number": "883987" }, { "agency": "NIH", "grant_number": "R35-GM142595" }, { "agency": "Resnick Sustainability Institute" }, { "agency": "Southern California Edison (SCE)" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.26434/chemrxiv-2021-g0dc2", "primary_object": { "basename": "10.26434_chemrxiv-2021-g0dc2.pdf", "url": "https://authors.library.caltech.edu/records/ekegm-9tt82/files/10.26434_chemrxiv-2021-g0dc2.pdf" }, "related_objects": [ { "basename": "supporting-information.pdf", "url": "https://authors.library.caltech.edu/records/ekegm-9tt82/files/supporting-information.pdf" } ], "pub_year": "2021", "author_list": "Cagan, David A.; B\u00edm, Daniel; et el." }, { "id": "https://authors.library.caltech.edu/records/zmvd8-r2r05", "eprint_id": 111462, "eprint_status": "archive", "datestamp": "2023-08-22 11:36:03", "lastmod": "2023-10-23 20:35:28", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Garrido-Barros-Pablo", "name": { "family": "Garrido-Barros", "given": "Pablo" }, "orcid": "0000-0002-1489-3386" }, { "id": "Derosa-Joseph", "name": { "family": "Derosa", "given": "Joseph" }, "orcid": "0000-0001-8672-4875" }, { "id": "Chalkley-Matthew-J", "name": { "family": "Chalkley", "given": "Matthew J." }, "orcid": "0000-0002-0484-7335" }, { "id": "Peters-J-C", "name": { "family": "Peters", "given": "Jonas" }, "orcid": "0000-0002-6610-4414" } ] }, "title": "Tandem electrocatalytic N\u2082 fixation via concerted proton-electron transfer", "ispublished": "unpub", "full_text_status": "public", "keywords": "nitrogen fixation; N2RR; Electrocatalytic N2RR; CPET; tandem catalysis; Electrocatalysis", "note": "The content is available under CC BY NC ND 4.0 License. \n\nWe thank the Dow Next Generation Educator Funds and Instrumentation Grants for their support of the NMR facility at Caltech.\nWe also thank the Resnick Water and Environment Laboratory at Caltech for the use of their instrumentation. We thank the following funding agencies: Department of Energy, Office of Basic Energy Sciences (DOE-0235032), Catalysis Science Program (for the development and applications of CPET mediators); National Institutes of Health (R01 GM-075757) (for studies of Fe-mediated N\u2082RR). P.G.B. thanks the Ram\u00f3n Areces Foundation for a postdoctoral fellowship. J.D. thanks the Arnold and Mabel Beckman Foundation for a postdoctoral fellowship. M.J.C. thanks the Resnick Sustainability Institute for a graduate fellowship. \n\nAuthor Contributions: P.G.B., M.J.C. and J.C.P. conceptualized the work. P.G.B. designed and executed the experiments. J.D. assisted with the execution of the catalytic experiments. All authors analyzed, interpreted the data and cowrote the manuscript. \n\nThe authors declare no competing interests.\n\nSubmitted - tandem-electrocatalytic-n2-fixation-via-concerted-proton-electron-transfer.pdf
Supplemental Material - supplementary-information-for-tandem-electrocatalytic-n2-fixation-via-concerted-proton-electron-transfer.pdf
", "abstract": "New electrochemical ammonia (NH\u2083) synthesis technologies are of interest as a complementary route to the Haber-Bosch (HB) process for distributed fertilizer generation, and towards exploiting ammonia as a zero-carbon fuel produced via renewably-sourced electricity. Apropos of these goals is a surge of fundamental research targeting heterogeneous materials as electrocatalysts for the nitrogen reduction reaction (N\u2082RR). These systems generally suffer from poor stability and NH\u2083 selectivity; competitive hydrogen evolution reaction (HER) outcompetes N2RR. Molecular catalyst systems can be exquisitely tuned and offer an alternative strategy, but progress has thus far been thwarted by the same selectivity issue; HER dominates. Herein we describe a tandem catalysis strategy that offers a solution to this puzzle. A molecular complex that can mediate an N\u2082 reduction cycle is partnered with a co-catalyst that interfaces the electrode and an acid to mediate concerted proton-electron transfer (CPET) steps, facilitating N\u2212H bond formation at a favorable applied potential and overall thermodynamic efficiency. Without CPET, certain intermediates of the N\u2082RR cycle would be unreactive via independent electron transfer (ET) or proton transfer (PT) steps, thereby shunting the system. Promisingly, complexes featuring several metals (W, Mo, Os, Fe) achieve N\u2082RR electrocatalysis at the same applied potential in the presence of the CPET mediator, pointing to the generality of this tandem approach.", "date": "2021-10-18", "date_type": "published", "id_number": "CaltechAUTHORS:20211015-162627858", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20211015-162627858", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Department of Energy (DOE)", "grant_number": "DOE-0235032" }, { "agency": "NIH", "grant_number": "R01 GM-075757" }, { "agency": "Ram\u00f3n Areces Foundation" }, { "agency": "Arnold and Mabel Beckman Foundation" }, { "agency": "Resnick Sustainability Institute" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.33774/chemrxiv-2021-j95jg", "primary_object": { "basename": "supplementary-information-for-tandem-electrocatalytic-n2-fixation-via-concerted-proton-electron-transfer.pdf", "url": "https://authors.library.caltech.edu/records/zmvd8-r2r05/files/supplementary-information-for-tandem-electrocatalytic-n2-fixation-via-concerted-proton-electron-transfer.pdf" }, "related_objects": [ { "basename": "tandem-electrocatalytic-n2-fixation-via-concerted-proton-electron-transfer.pdf", "url": "https://authors.library.caltech.edu/records/zmvd8-r2r05/files/tandem-electrocatalytic-n2-fixation-via-concerted-proton-electron-transfer.pdf" } ], "pub_year": "2021", "author_list": "Garrido-Barros, Pablo; Derosa, Joseph; et el." }, { "id": "https://authors.library.caltech.edu/records/ckncy-3b444", "eprint_id": 110638, "eprint_status": "archive", "datestamp": "2023-08-20 04:48:39", "lastmod": "2023-12-22 23:33:30", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Chari-Tara", "name": { "family": "Chari", "given": "Tara" }, "orcid": "0000-0002-6953-4313" }, { "id": "Banerjee-Joeyta", "name": { "family": "Banerjee", "given": "Joeyta" } }, { "id": "Pachter-L", "name": { "family": "Pachter", "given": "Lior" }, "orcid": "0000-0002-9164-6231" } ] }, "title": "The Specious Art of Single-Cell Genomics", "ispublished": "unpub", "full_text_status": "public", "note": "The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY-NC 4.0 International license. \n\nVersion 1: August 26, 2021; Version 2: September 21, 2021; Version 3: September 27, 2021. \n\nSome of the computations presented here were conducted using machines in the Resnick High Performance Center, a facility supported by the Resnick Sustainability Institute at the California Institute of Technology. We thank Gennady Gorin and Benjamin Riviere for helpful discussions regarding the MCML and Picasso analyses, Sina Booeshaghi for helpful discussions regarding NCA and dimensionality reduction, Ingileif Hallgrimsdottir for valuable feedback on the manuscript, and Pall Melsted for useful insights regarding Theorem 1. The work was supported in part by NIH grant U19MH114830 and Joeyta Banerjee was supported in part by the Caltech Summer Undergraduate Research Fellowship (SURF). \n\nData Availability: Download links for the original data used to generate the figures and results in the paper are listed in Table 1. Processed and normalized versions of the count matrices are available on CaltechData, with links provided in Supplementary Table 1. \n\nCode Availability: All analysis code used to generate the figures and results in the paper is available at https://github.com/pachterlab/CBP_2021 with Picasso and MCML analyses provided in notebooks which can be run on Google Colab. Picasso is also available at https://github.com/pachterlab/picasso. The MCML method as well as tools for quantitative analysis are available via a Python pip installable package from https://github.com/pachterlab/MCML. \n\n\nAuthor Contributions:\nConceived of the project: TC and LP\nWrote scripts for processing the data and code for the analysis: TC and JB\nDeveloped the Google Colab notebooks: TC and JB\nAnalyzed and interpreted the data: TC and LP\nWriting and editing the manuscript: TC and LP. \n\nThe authors declare no competing interests.\n\nSubmitted - 2021.08.25.457696v3.full.pdf
Supplemental Material - media-1.pdf
", "abstract": "Dimensionality reduction is standard practice for filtering noise and identifying relevant dimensions in large-scale data analyses. In biology, single-cell expression studies almost always begin with reduction to two or three dimensions to produce 'all-in-one' visuals of the data that are amenable to the human eye, and these are subsequently used for qualitative and quantitative analysis of cell relationships. However, there is little theoretical support for this practice. We examine the theoretical and practical implications of low-dimensional embedding of single-cell data, and find extensive distortions incurred on the global and local properties of biological patterns relative to the high-dimensional, ambient space. In lieu of this, we propose semi-supervised dimension reduction to higher dimension, and show that such targeted reduction guided by the metadata associated with single-cell experiments provides useful latent space representations for hypothesis-driven biological discovery.", "date": "2021-08-31", "date_type": "published", "id_number": "CaltechAUTHORS:20210831-175013923", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20210831-175013923", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Resnick Sustainability Institute" }, { "agency": "NIH", "grant_number": "U19MH114830" }, { "agency": "Caltech Summer Undergraduate Research Fellowship (SURF)" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" }, { "id": "Division-of-Biology-and-Biological-Engineering" } ] }, "doi": "10.1101/2021.08.25.457696", "primary_object": { "basename": "2021.08.25.457696v3.full.pdf", "url": "https://authors.library.caltech.edu/records/ckncy-3b444/files/2021.08.25.457696v3.full.pdf" }, "related_objects": [ { "basename": "media-1.pdf", "url": "https://authors.library.caltech.edu/records/ckncy-3b444/files/media-1.pdf" } ], "pub_year": "2021", "author_list": "Chari, Tara; Banerjee, Joeyta; et el." }, { "id": "https://authors.library.caltech.edu/records/4wpcm-rkp48", "eprint_id": 109655, "eprint_status": "archive", "datestamp": "2023-08-22 10:15:24", "lastmod": "2024-01-18 17:08:09", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Brandst\u00e4tter-Marco", "name": { "family": "Brandst\u00e4tter", "given": "Marco" }, "orcid": "0000-0002-9465-7585" }, { "id": "Turro-Raymond-F", "name": { "family": "Turro", "given": "Raymond F." }, "orcid": "0000-0001-9774-4556" }, { "id": "Reisman-S-E", "name": { "family": "Reisman", "given": "Sarah E." }, "orcid": "0000-0001-8244-9300" } ] }, "title": "Nickel-Catalyzed Reductive Alkylation of Heteroaryl Imines", "ispublished": "unpub", "full_text_status": "public", "keywords": "Nickel-catalyzed; non-innocent ligand; imine alkylation; heterobenzylic amines; radical", "note": "The content is available under CC BY NC ND 4.0 License.\n\nThis paper is dedicated in memory of our colleague and friend Prof. Robert H. Grubbs. \n\nDr. Scott Virgil and the Caltech Center for Catalysis and Chemical Synthesis are gratefully acknowledged for access to analytical equipment. Fellowship support was provided by the Swiss National Science Foundation (M. B.). S.E.R. is a Heritage Medical Research Institute Investigator and acknowledges financial support from the NIH (R35GM118191). The authors would also like to thank Dr. Nathan Dalleska and the Resnick Sustainability Institute's Water and Environmental Lab for elemental analysis of commercial manganese; Dr. Mona Shahgholi for assistance with mass spectrometry measurements; Dr. Paul Oyala for assistance with X-band EPR measurements; Dr. David E. Hill for invaluable assistance with electroanalytical and spectroelectrochemical experiments; as well as Z. Jaron Tong for helpful discussions on DFT calculations and non-innocent ligand complexes.\n\nSubmitted - nickel-catalyzed-reductive-alkylation-of-heteroaryl-imines.pdf
Supplemental Material - supporting-information.pdf
", "abstract": "A Ni-catalyzed reductive cross-coupling of heteroaryl imines with C(sp\u00b3) electrophiles for the preparation of heterobenzylic amines is reported. This umpolung-type alkylation proceeds under mild conditions, avoids the pre-generation of organometallic reagents, and ex-hibits good functional group tolerance. Mechanistic studies are consistent with the imine substrate acting as a redox-active ligand upon coordination to a low-valent nickel center. The resulting Ni-bis(2-imino)heterocycle complexes can engage in alkylation reactions with a variety of C(sp\u00b3) electrophiles, giving the heterobenzylic amine products in good yields.", "date": "2021-06-29", "date_type": "published", "id_number": "CaltechAUTHORS:20210629-203340595", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20210629-203340595", "funders": { "items": [ { "agency": "Swiss National Science Foundation (SNSF)" }, { "agency": "Heritage Medical Research Institute" }, { "agency": "NIH", "grant_number": "R35GM118191" } ] }, "local_group": { "items": [ { "id": "Heritage-Medical-Research-Institute" }, { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.33774/chemrxiv-2021-mdjf6", "primary_object": { "basename": "nickel-catalyzed-reductive-alkylation-of-heteroaryl-imines.pdf", "url": "https://authors.library.caltech.edu/records/4wpcm-rkp48/files/nickel-catalyzed-reductive-alkylation-of-heteroaryl-imines.pdf" }, "related_objects": [ { "basename": "supporting-information.pdf", "url": "https://authors.library.caltech.edu/records/4wpcm-rkp48/files/supporting-information.pdf" } ], "pub_year": "2021", "author_list": "Brandst\u00e4tter, Marco; Turro, Raymond F.; et el." }, { "id": "https://authors.library.caltech.edu/records/gq4w0-fzk69", "eprint_id": 109240, "eprint_status": "archive", "datestamp": "2023-08-22 09:55:22", "lastmod": "2023-10-23 17:44:52", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Le-Linh-N-V", "name": { "family": "Le", "given": "Linh N. V." }, "orcid": "0000-0003-1451-2675" }, { "id": "Bailey-Gwendolyn-A", "name": { "family": "Bailey", "given": "Gwendolyn A." }, "orcid": "0000-0002-6636-4128" }, { "id": "Scott-Anna-G", "name": { "family": "Scott", "given": "Anna G." } }, { "id": "Agapie-T", "name": { "family": "Agapie", "given": "Theodor" }, "orcid": "0000-0002-9692-7614" } ] }, "title": "Cluster Models of FeMoco with Sulfide and Carbyne Ligands: Effect of Interstitial Atom in Nitrogenase Active Site", "ispublished": "unpub", "full_text_status": "public", "keywords": "FeMo cofactor; cubane clusters; nitrogenase; nitrogen fixation; carbide; interstitial ligand; iron-sulfur clusters", "note": "LICENCE: CC BY-NC-ND 4.0 \n\nWe are grateful to the National Institutes of Health (R01-GM102687B to T.A.), Natural Sciences and Engineering Research Council of Canada (G.A.B.), the Resnick Sustainability Institute at Caltech (G.A.B.), and the National Science Foundation (Graduate Research Fellowships Program to A.G.S.) for funding. We thank the Beckman Institute and the Dow Next Generation Grant for instrumentation support. Michael Takase, Lawrence Henling, and Manar Shoshani are thanked for assistance with crystallography.\n\n", "abstract": "Nitrogen-fixing organisms perform dinitrogen reduction to ammonia at an iron-M (M = Mo, Fe, or V) cofactor (FeMco) of nitrogenase. FeMoco displays eight metal centers bridged by sulfides and a carbide having the MoFe\u2087S\u2088C cluster composition. The role of the carbide ligand, a unique motif in protein active sites, remains poorly understood. Toward addressing its function, we isolated synthetic models of subsite MFe\u2083S\u2083C displaying sulfides and a carbyne ligand. We developed synthetic protocols for structurally related clusters, [Tp*MFe\u2083\u20833X]^(n-), where M = Mo or W, the bridging ligand X = CR, N, NR, S, and Tp* = tris(3,5-dimethyl-1-pyrazolyl)hydroborate, to study the effects of the identity of the heterometal and the bridging X group on structure and electrochemistry. While the nature of M results in minor changes, the \u03bc\u2083-bridging ligand X has a large impact on reduction potentials, with differences higher than 1 V, even for the same formal charge, the most reducing clusters being supported by the carbyne ligand.", "date": "2021-05-24", "date_type": "published", "id_number": "CaltechAUTHORS:20210524-113358984", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20210524-113358984", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "NIH", "grant_number": "R01-GM102687B" }, { "agency": "Natural Sciences and Engineering Research Council of Canada (NSERC)" }, { "agency": "Resnick Sustainability Institute" }, { "agency": "NSF Graduate Research Fellowship" }, { "agency": "Dow Next Generation Educator Fund" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.26434/chemrxiv.14614152.v1", "primary_object": { "basename": "Cluster_Models_of_FeMoco_with_Sulfide_and_Carbyne_Ligands__Effect_of_Interstitial_Atom_in_Nitrogenase_Active_Site_v1.pdf", "url": "https://authors.library.caltech.edu/records/gq4w0-fzk69/files/Cluster_Models_of_FeMoco_with_Sulfide_and_Carbyne_Ligands__Effect_of_Interstitial_Atom_in_Nitrogenase_Active_Site_v1.pdf" }, "pub_year": "2021", "author_list": "Le, Linh N. V.; Bailey, Gwendolyn A.; et el." }, { "id": "https://authors.library.caltech.edu/records/1d53p-zja18", "eprint_id": 109904, "eprint_status": "archive", "datestamp": "2023-08-20 03:13:29", "lastmod": "2023-10-23 18:12:37", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Zocca-Alessandro", "name": { "family": "Zocca", "given": "Alessandro" }, "orcid": "0000-0001-6585-4785" }, { "id": "Liang-Chen", "name": { "family": "Liang", "given": "Chen" } }, { "id": "Guo-Linqi", "name": { "family": "Guo", "given": "Linqi" } }, { "id": "Low-S-H", "name": { "family": "Low", "given": "Steven H." }, "orcid": "0000-0001-6476-3048" }, { "id": "Wierman-A", "name": { "family": "Wierman", "given": "Adam" } } ] }, "title": "A Spectral Representation of Power Systems with Applications to Adaptive Grid Partitioning and Cascading Failure Localization", "ispublished": "unpub", "full_text_status": "public", "note": "Attribution 4.0 International (CC BY 4.0).\n\nThis research has been supported by NWO Rubicon grant 680.50.1529, Resnick Fellowship, Linde Institute Research Award, NSF grants through PFI:AIR-TT award 1602119, EPCN 1619352, CNS 1545096, CCF 1637598, ECCS 1619352, CNS 1518941, CPS 154471, AitF 1637598, ARPA-E grant through award DE-AR0000699 (NODES) and GRID DATA, DTRA through grant HDTRA 1-15-1-0003 and Skoltech through collaboration agreement 1075-MRA.\n\nSubmitted - 2105.05234.pdf
", "abstract": "Transmission line failures in power systems propagate and cascade non-locally. This well-known yet counter-intuitive feature makes it even more challenging to optimally and reliably operate these complex networks. In this work we present a comprehensive framework based on spectral graph theory that fully and rigorously captures how multiple simultaneous line failures propagate, distinguishing between non-cut and cut set outages. Using this spectral representation of power systems, we identify the crucial graph sub-structure that ensures line failure localization -- the network bridge-block decomposition. Leveraging this theory, we propose an adaptive network topology reconfiguration paradigm that uses a two-stage algorithm where the first stage aims to identify optimal clusters using the notion of network modularity and the second stage refines the clusters by means of optimal line switching actions. Our proposed methodology is illustrated using extensive numerical examples on standard IEEE networks and we discussed several extensions and variants of the proposed algorithm.", "date": "2021-05-11", "date_type": "published", "publisher": "arXiv", "id_number": "CaltechAUTHORS:20210716-225840003", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20210716-225840003", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO)", "grant_number": "680.50.1529" }, { "agency": "Linde Institute of Economic and Management Science" }, { "agency": "NSF", "grant_number": "IIP-1602119" }, { "agency": "NSF", "grant_number": "ECCS-1619352" }, { "agency": "NSF", "grant_number": "CNS-1545096" }, { "agency": "NSF", "grant_number": "CCF-1637598" }, { "agency": "NSF", "grant_number": "ECCS-1619352" }, { "agency": "NSF", "grant_number": "CNS-1518941" }, { "agency": "NSF", "grant_number": "CPS-154471" }, { "agency": "NSF", "grant_number": "CCF-1637598" }, { "agency": "Advanced Research Projects Agency-Energy (ARPA-E)", "grant_number": "DE-AR0000699" }, { "agency": "Defense Threat Reduction Agency (DTRA)", "grant_number": "HDTRA 1-15-1-0003" }, { "agency": "Skoltech", "grant_number": "1075-MRA" }, { "agency": "Resnick Sustainability Institute" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.48550/arXiv.2105.05234", "primary_object": { "basename": "2105.05234.pdf", "url": "https://authors.library.caltech.edu/records/1d53p-zja18/files/2105.05234.pdf" }, "pub_year": "2021", "author_list": "Zocca, Alessandro; Liang, Chen; et el." }, { "id": "https://authors.library.caltech.edu/records/hbm1w-gfy69", "eprint_id": 108762, "eprint_status": "archive", "datestamp": "2023-08-20 02:26:07", "lastmod": "2023-12-22 23:45:22", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Dahlstrom-Kurt-M", "name": { "family": "Dahlstrom", "given": "Kurt M." }, "orcid": "0000-0001-6590-6020" }, { "id": "Newman-D-K", "name": { "family": "Newman", "given": "Dianne K." }, "orcid": "0000-0003-1647-1918" } ] }, "title": "Paraburkholderia edwinii protects Aspergillus sp. from phenazines by acting as a toxin sponge", "ispublished": "unpub", "full_text_status": "public", "keywords": "phenazines, bacteria, fungi, protective partnership, microbial interactions, inter-kingdom", "note": "The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY-NC-ND 4.0 International license. \n\nThis version posted March 28, 2021. \n\nWe thank members of the Newman lab for constructive feedback on the project and the manuscript, and The Millard and Muriel Jacobs Genetics and Genomics Laboratory at Caltech and Igor Antoshechkin for support during library preparation and sequencing. We thank Marko Kojic for help screening transposon mutants, as well as Robert Cramer, Deborah Hogan, and Jeff Holloman for sharing their expertise in mycology. This work was supported by the Life Sciences Research Foundation (postdoctoral fellowship to K.M.D.), the Resnick Institute (K.M.D. and D.K.N.) and the NIH (1R01AI127850-01A1 to D.K.N.).\n\nAuthor Contributions: K.M.D. performed the experiments. K.M.D and D.K.N. designed the research strategy, analyzed data, and wrote the paper. \n\nThe authors have declared no competing interest.\n\nSubmitted - 2021.03.28.437412v1.full.pdf
Supplemental Material - media-1.pdf
Supplemental Material - media-2.xlsx
Supplemental Material - media-3.xlsx
", "abstract": "Many environmentally and clinically important fungi are sensitive to toxic, bacterially-produced, redox-active molecules called phenazines. Despite being vulnerable to phenazine-assault, fungi inhabit microbial communities that contain phenazine producers. Because many fungi cannot withstand phenazine challenge, but some bacterial species can, we hypothesized that bacterial partners may protect fungi in phenazine-replete environments. In the first soil sample we collected, we co-isolated several such physically associated pairings. We discovered the novel species Paraburkholderia edwinii and demonstrated it can protect a co-isolated Aspergillus species from phenazine-1-carboxylic acid (PCA) by sequestering it, acting as a toxin sponge; in turn, it also gains protection. When challenged with PCA, P. edwinii changes its morphology, forming aggregates within the growing fungal colony. Further, the fungal partner triggers P. edwinii to sequester PCA and maintains conditions that limit PCA toxicity by promoting an anoxic and highly reducing environment. A mutagenic screen revealed this program depends on the stress-inducible transcriptional repressor HrcA. We show that one relevant stressor in response to PCA challenge is fungal acidification and that acid stress causes P. edwinii to behave as though the fungus were present. Finally, we reveal this phenomenon as widespread among Paraburkholderia with moderate specificity among bacterial and fungal partners, including plant and human pathogens. Our discovery suggests a common mechanism by which fungi can gain access to phenazine-replete environments, and provides a tractable model system for its study. These results have implications for how rhizosphere microbial communities as well as plant and human infection sites are policed for fungal membership.", "date": "2021-04-19", "date_type": "published", "id_number": "CaltechAUTHORS:20210419-152102811", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20210419-152102811", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Life Sciences Research Foundation" }, { "agency": "Resnick Sustainability Institute" }, { "agency": "NIH", "grant_number": "1R01AI127850-01A1" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" }, { "id": "Caltech-Center-for-Environmental-Microbial-Interactions-(CEMI)" }, { "id": "Millard-and-Muriel-Jacobs-Genetics-and-Genomics-Laboratory" }, { "id": "Division-of-Geological-and-Planetary-Sciences" }, { "id": "Division-of-Biology-and-Biological-Engineering" } ] }, "doi": "10.1101/2021.03.28.437412", "primary_object": { "basename": "media-2.xlsx", "url": "https://authors.library.caltech.edu/records/hbm1w-gfy69/files/media-2.xlsx" }, "related_objects": [ { "basename": "media-3.xlsx", "url": "https://authors.library.caltech.edu/records/hbm1w-gfy69/files/media-3.xlsx" }, { "basename": "2021.03.28.437412v1.full.pdf", "url": "https://authors.library.caltech.edu/records/hbm1w-gfy69/files/2021.03.28.437412v1.full.pdf" }, { "basename": "media-1.pdf", "url": "https://authors.library.caltech.edu/records/hbm1w-gfy69/files/media-1.pdf" } ], "pub_year": "2021", "author_list": "Dahlstrom, Kurt M. and Newman, Dianne K." }, { "id": "https://authors.library.caltech.edu/records/twn6t-ab519", "eprint_id": 108264, "eprint_status": "archive", "datestamp": "2023-08-20 01:29:53", "lastmod": "2023-12-22 23:33:37", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Chure-Griffin-D", "name": { "family": "Chure", "given": "Griffin" }, "orcid": "0000-0002-2216-2057" }, { "id": "Banks-Rachel-A", "name": { "family": "Banks", "given": "Rachel A." }, "orcid": "0000-0003-2028-2925" }, { "id": "Flamholz-Avi-I", "name": { "family": "Flamholz", "given": "Avi I." }, "orcid": "0000-0002-9278-5479" }, { "id": "Sarai-Nicholas-S", "name": { "family": "Sarai", "given": "Nicholas S." }, "orcid": "0000-0002-4655-0038" }, { "id": "Kamb-Mason", "name": { "family": "Kamb", "given": "Mason" } }, { "id": "Lopez-Gomez-Ignacio", "name": { "family": "Lopez-Gomez", "given": "Ignacio" }, "orcid": "0000-0002-7255-5895" }, { "id": "Bar-On-Yinon-M", "name": { "family": "Bar-On", "given": "Yinon M." }, "orcid": "0000-0001-8477-609X" }, { "id": "Milo-Ron", "name": { "family": "Milo", "given": "Ron" }, "orcid": "0000-0003-1641-2299" }, { "id": "Phillips-R", "name": { "family": "Phillips", "given": "Rob" }, "orcid": "0000-0003-3082-2809" } ] }, "title": "The Anthropocene by the Numbers: A Quantitative Snapshot of Humanity's Influence on the Planet", "ispublished": "unpub", "full_text_status": "public", "note": "Attribution 4.0 International (CC BY 4.0). \n\nWe are incredibly grateful for the generosity of a wide array of experts for their advice, suggestions, and criticism of this work. Specifically, we thank Suzy Beeler, Lars Bildsten, Justin Bois, Chris Bowler, Matthew Burgess, Ken Caldeira, J\u00f6rn Callies, Sean B. Carroll, Ibrahim Ciss\u00e9, Joel Cohen, Michelle Dan, Bethany Ehlmann, Gidon Eshel, Paul Falkowski, Daniel Fisher, Thomas Frederikse, Neil Fromer, Eric Galbraith, Lea Goentoro, Evan Groover, John Grotzinger, Soichi Hirokawa, Greg Huber, Christina Hueschen, Bob Jaffe, Elizabeth Kolbert, Thomas Lecuit, Raphael Magarik, Jeff Marlow, Brad Marston, Jitu Mayor, Elliot Meyerowitz, Lisa Miller, Dianne Newman, Luke Oltrogge, Nigel Orme, Victoria Orphan, Marco Pasti, Pietro Perona, Noam Prywes, Stephen Quake, Hamza Raniwala, Manuel Razo-Mejia, Thomas Rosenbaum,\nBenjamin Rubin, Alex Rubinsteyn, Shyam Saladi, Tapio Schneider, Murali Sharma, Alon Shepon, Arthur Smith, Matthieu Talpe, Wati Taylor, Julie Theriot, Tadashi Tokieda, Cat Triandifillou, Sabah Ul-Hasan, Tine Valencic, and Ned Wingreen. \n\nWe also thank Yue Qin for sharing data related to global water consumption. Many of the topics in this work began during the Applied Physics 150C course taught at Caltech during the early days of the COVID-19 pandemic. This work was supported by the Resnick Sustainability Institute at Caltech and the Schwartz-Reisman Collaborative Science Program at the Weizmann Institute of Science.\n\nSubmitted - 2101.09620.pdf
", "abstract": "The presence and action of humans on Earth has exerted a strong influence on the evolution of the planet over the past \u2248 10,000 years, the consequences of which are now becoming broadly evident. Despite a deluge of tightly-focused and necessarily technical studies exploring each facet of \"human impacts\" on the planet, their integration into a complete picture of the human-Earth system lags far behind. Here, we quantify twelve dimensionless ratios which put the magnitude of human impacts in context, comparing the magnitude of anthropogenic processes to their natural analogues. These ratios capture the extent to which humans alter the terrestrial surface, hydrosphere, biosphere, atmosphere, and biogeochemistry of Earth. In almost all twelve cases, the impact of human processes rivals or exceeds their natural counterparts. The values and corresponding uncertainties for these impacts at global and regional resolution are drawn from the primary scientific literature, governmental and international databases, and industry reports. We present this synthesis of the current \"state of affairs\" as a graphical snapshot designed to be used as a reference. Furthermore, we establish a searchable database termed the Human Impacts Database (this http URL) which houses all quantities reported here and many others with extensive curation and annotation. While necessarily incomplete, this work collates and contextualizes a set of essential numbers summarizing the broad impacts of human activities on Earth's atmosphere, land, water, and biota.", "date": "2021-03-02", "date_type": "published", "publisher": "arXiv", "id_number": "CaltechAUTHORS:20210302-081003409", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20210302-081003409", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Resnick Sustainability Institute" }, { "agency": "Weizmann Institute of Science" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" }, { "id": "Division-of-Biology-and-Biological-Engineering" } ] }, "doi": "10.48550/arXiv.2101.09620", "primary_object": { "basename": "2101.09620.pdf", "url": "https://authors.library.caltech.edu/records/twn6t-ab519/files/2101.09620.pdf" }, "pub_year": "2021", "author_list": "Chure, Griffin; Banks, Rachel A.; et el." }, { "id": "https://authors.library.caltech.edu/records/r5ecn-kf759", "eprint_id": 106905, "eprint_status": "archive", "datestamp": "2023-08-20 00:47:16", "lastmod": "2023-10-20 23:01:40", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "He-Jia", "name": { "family": "He", "given": "Jia" }, "orcid": "0000-0001-7096-7805" }, { "id": "Cohen-Yair", "name": { "family": "Cohen", "given": "Yair" }, "orcid": "0000-0002-9615-2476" }, { "id": "Lopez-Gomez-Ignacio", "name": { "family": "Lopez-Gomez", "given": "Ignacio" }, "orcid": "0000-0002-7255-5895" }, { "id": "Jaruga-Anna", "name": { "family": "Jaruga", "given": "Anna" }, "orcid": "0000-0003-3194-6440" }, { "id": "Schneider-T", "name": { "family": "Schneider", "given": "Tapio" }, "orcid": "0000-0001-5687-2287" } ] }, "title": "An Improved Perturbation Pressure Closure for Eddy-Diffusivity Mass-Flux Schemes", "ispublished": "unpub", "full_text_status": "public", "note": "\u00a9 2020. California Institute of Technology. Government sponsorship acknowledged. \n\nThis research was made possible by the generosity of Eric and Wendy Schmidt by recommendation of the Schmidt Futures program, by Earthrise Alliance, Mountain Philanthropies, the Paul G. Allen Family Foundation, and the National Science Foundation (NSF, award AGS-1835860). We would like to thank the Resnick Sustainability Institute at Caltech for fellowship support. Parts of the research were carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration and funded through the internal Research and Technology Development program. The PyCLES code used to generate LES results is available at climate-dynamics.org/software/#pycles. The SCM code is available at https://doi.org/10.5281/zenodo.4291143.\n\nSubmitted - essoar.10505084.1.pdf
", "abstract": "Convection parameterizations such as eddy-diffusivity mass-flux (EDMF) schemes require a consistent closure formulation for the perturbation pressure, which arises in the equations for vertical momentum and turbulence kinetic energy (TKE). Here we derive an expression for the perturbation pressure from approximate analytical solutions for 2D and 3D rising thermal bubbles. The new closure combines a modified pressure drag and virtual mass effects with a new momentum advection term. This momentum advection is an important source in the lower half of the thermal bubble and at cloud base levels in convective systems. It represents the essential physics of the perturbation pressure, that is, to ensure the 3D non-divergent properties of the flow. Moreover, the new formulation modifies the pressure drag to be inversely proportional to updraft depth. This is found to significantly improve simulations of the diurnal cycle of deep convection, without compromising simulations of shallow convection. It is thus a key step toward a unified scheme for a range of convective motions. By assuming that the pressure only redistributes TKE between plumes and the environment, rather than vertically, a closure for the velocity pressure-gradient correlation is obtained from the perturbation pressure closure. This novel pressure closure is implemented in an extended EDMF scheme and is shown to successfully simulate a rising bubble test case as well as shallow and deep convection cases in a single column model.", "date": "2020-12-05", "date_type": "published", "id_number": "CaltechAUTHORS:20201204-110354763", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20201204-110354763", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Eric and Wendy Schmidt" }, { "agency": "Schmidt Futures Program" }, { "agency": "Earthrise Alliance" }, { "agency": "Mountain Philanthropies" }, { "agency": "Paul G. Allen Family Foundation" }, { "agency": "NSF", "grant_number": "AGS-1835860" }, { "agency": "NASA/JPL/Caltech" }, { "agency": "JPL Internal Research and Technology Development Program" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" }, { "id": "Division-of-Geological-and-Planetary-Sciences" } ] }, "doi": "10.1002/essoar.10505084.1", "primary_object": { "basename": "essoar.10505084.1.pdf", "url": "https://authors.library.caltech.edu/records/r5ecn-kf759/files/essoar.10505084.1.pdf" }, "pub_year": "2020", "author_list": "He, Jia; Cohen, Yair; et el." }, { "id": "https://authors.library.caltech.edu/records/7dtsa-zfv20", "eprint_id": 106265, "eprint_status": "archive", "datestamp": "2023-08-19 23:54:22", "lastmod": "2023-10-20 22:52:59", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Singer-C-E", "name": { "family": "Singer", "given": "Clare E." }, "orcid": "0000-0002-1708-0997" }, { "id": "Lopez-Gomez-I", "name": { "family": "Lopez-Gomez", "given": "Ignacio" }, "orcid": "0000-0002-7255-5895" }, { "id": "Zhang-Xiyue", "name": { "family": "Zhang", "given": "Xiyue" }, "orcid": "0000-0002-6031-7830" }, { "id": "Schneider-T", "name": { "family": "Schneider", "given": "Tapio" }, "orcid": "0000-0001-5687-2287" } ] }, "title": "Top-of-atmosphere albedo bias from neglecting three-dimensional radiative transfer through clouds", "ispublished": "unpub", "full_text_status": "public", "note": "Published Online: Fri, 16 Oct 2020. \n\nC.E.S. acknowledges support from NSF Graduate Research Fellowship under Grant No. DGE-1745301. I.L. is supported by a fellowship from the Resnick Sustainability Institute at Caltech. This research was additionally supported by the generosity of Eric and Wendy Schmidt by recommendation of the Schmidt Futures program and by Mountain Philanthropies. Part of this research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration. \n\nAll code or data used in this paper are freely available online. The LES were run using the PyCLES code (https://climate-dynamics.org/software/#pycles). The radiative transfer computations were done using the libRadtran code (http://www.libradtran.org). Post-processed LES 3D fields used as input files for libRadtran computations are available in Singer et al. (2020). The ISCCP data were downloaded from the GEWEX database (https://climserv.ipsl.polytechnique.fr/gewexca/).\n\nSubmitted - essoar.10504531.1.pdf
", "abstract": "Clouds cover on average nearly 70% of Earth's surface and are important for the global albedo. The magnitude of the shortwave reflection by clouds depends on their location, optical properties, and 3D structure. Earth system models are unable to perform 3D radiative transfer calculations and thus partially neglect the effect of cloud morphology on albedo. We show how the resulting radiative flux bias depends on cloud morphology and solar zenith angle. Using large-eddy simulations to produce 3D cloud fields, a Monte Carlo code for 3D radiative transfer, and observations of cloud climatology, we estimate the effect of this flux bias on global climate. The flux bias is largest at small zenith angles and for deeper clouds, while the albedo bias is largest (and negative) for large zenith angles. Globally, the radiative flux bias is estimated to be 1.6 W m\u207b\u00b2 and locally can be on the order of 5 W m\u207b\u00b2.", "date": "2020-10-23", "date_type": "published", "id_number": "CaltechAUTHORS:20201023-133020582", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20201023-133020582", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "NSF Graduate Research Fellowship", "grant_number": "DGE-1745301" }, { "agency": "Resnick Sustainability Institute" }, { "agency": "NASA/JPL/Caltech" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" }, { "id": "Division-of-Geological-and-Planetary-Sciences" } ] }, "doi": "10.1002/essoar.10504531.1", "primary_object": { "basename": "essoar.10504531.1.pdf", "url": "https://authors.library.caltech.edu/records/7dtsa-zfv20/files/essoar.10504531.1.pdf" }, "pub_year": "2020", "author_list": "Singer, Clare E.; Lopez-Gomez, Ignacio; et el." }, { "id": "https://authors.library.caltech.edu/records/58pdy-njb94", "eprint_id": 104241, "eprint_status": "archive", "datestamp": "2023-08-19 21:31:30", "lastmod": "2023-10-20 19:12:18", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Guo-Linqi", "name": { "family": "Guo", "given": "Linqi" } }, { "id": "Liang-Chen", "name": { "family": "Liang", "given": "Chen" } }, { "id": "Zocca-A", "name": { "family": "Zocca", "given": "Alessandro" }, "orcid": "0000-0001-6585-4785" }, { "id": "Low-S-H", "name": { "family": "Low", "given": "Steven H." }, "orcid": "0000-0001-6476-3048" }, { "id": "Wierman-A", "name": { "family": "Wierman", "given": "Adam" } } ] }, "title": "Localization & Mitigation of Cascading Failures in Power Systems, Part III: Real-time Mitigation", "ispublished": "unpub", "full_text_status": "public", "note": "This work has been supported by Resnick Fellowship, Linde Institute Research Award, NWO Rubicon grant 680.50.1529, NSF through grants CCF 1637598, ECCS 1619352, ECCS 1931662, CNS 1545096, CNS 1518941, CPS ECCS 1739355, CPS 154471.\n\nSubmitted - 2005.11319.pdf
", "abstract": "Cascading failures in power systems propagate non-locally, making the control of outages extremely difficult. In Part III of this work, we leverage the properties of tree partitioning developed in Parts I and II to propose a distributed control strategy that offers strong guarantees in both the mitigation and localization of cascading failures. Specifically we adopt a recently developed distributed frequency regulation approach, called the Unified Control, that integrates primary and secondary control as well as congestion management at frequency control timescale. When the balancing areas over which the Unified Control operates form a tree partition, our proposed strategy will regulate the system to a steady state where the impact of initial line outages is localized within the areas where they occur whenever possible and stop the cascading process. When initial line outages cannot be localized, the proposed strategy provides a configurable design that involves and coordinates progressively more balancing areas for failure mitigation in a way that can be optimized for different priorities. We compare the proposed control strategy with the classical automatic generation control (AGC) on the IEEE 118-bus and 2736-bus test networks. Simulation results show that our strategy greatly improves overall reliability in terms of the N-k security standard, and localizes the impact of initial failures in majority of the load profiles that are examined. Moreover, the proposed framework incurs significantly less load loss, if any, compared to AGC, in all of our case studies.", "date": "2020-07-07", "date_type": "published", "publisher": "arXiv", "id_number": "CaltechAUTHORS:20200707-100438853", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20200707-100438853", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Resnick Sustainability Institute" }, { "agency": "Linde Institute of Economic and Management Science" }, { "agency": "Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO)", "grant_number": "680.50.1529" }, { "agency": "NSF", "grant_number": "CCF-1637598" }, { "agency": "NSF", "grant_number": "ECCS-1619352" }, { "agency": "NSF", "grant_number": "ECCS-1931662" }, { "agency": "NSF", "grant_number": "CNS-1545096" }, { "agency": "NSF", "grant_number": "CNS-1518941" }, { "agency": "NSF", "grant_number": "ECCS-1739355" }, { "agency": "NSF", "grant_number": "CPS-154471" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.48550/arXiv.2005.11319", "primary_object": { "basename": "2005.11319.pdf", "url": "https://authors.library.caltech.edu/records/58pdy-njb94/files/2005.11319.pdf" }, "pub_year": "2020", "author_list": "Guo, Linqi; Liang, Chen; et el." }, { "id": "https://authors.library.caltech.edu/records/289n3-tb344", "eprint_id": 100644, "eprint_status": "archive", "datestamp": "2023-08-22 00:57:36", "lastmod": "2023-10-18 21:41:51", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Manby-Frederick-R", "name": { "family": "Manby", "given": "Frederick R." }, "orcid": "0000-0001-7611-714X" }, { "id": "Miller-T-F-III", "name": { "family": "Miller", "given": "Thomas F., III" }, "orcid": "0000-0002-1882-5380" }, { "id": "Bygrave-Peter-J", "name": { "family": "Bygrave", "given": "Peter J." } }, { "id": "Ding-Feizhi", "name": { "family": "Ding", "given": "Feizhi" } }, { "id": "Dresselhaus-Thomas", "name": { "family": "Dresselhaus", "given": "Thomas" } }, { "id": "Batista-Romero-Fidel-A", "name": { "family": "Batista-Romero", "given": "Fidel A." } }, { "id": "Buccheri-Alexander", "name": { "family": "Buccheri", "given": "Alexander" } }, { "id": "Bungey-Callum", "name": { "family": "Bungey", "given": "Callum" } }, { "id": "Lee-Sebastian-J-R", "name": { "family": "Lee", "given": "Sebastian J. R." }, "orcid": "0000-0001-7006-9378" }, { "id": "Meli-Rocco", "name": { "family": "Meli", "given": "Rocco" } }, { "id": "Miyamoto-Kaito", "name": { "family": "Miyamoto", "given": "Kaito" } }, { "id": "Steinmann-Casper", "name": { "family": "Steinmann", "given": "Casper" } }, { "id": "Tsuchiya-Takashi", "name": { "family": "Tsuchiya", "given": "Takashi" } }, { "id": "Welborn-Matthew-G", "name": { "family": "Welborn", "given": "Matthew" }, "orcid": "0000-0001-8659-6535" }, { "id": "Wiles-Timothy", "name": { "family": "Wiles", "given": "Timothy" } }, { "id": "Williams-Zack", "name": { "family": "Williams", "given": "Zack" } } ] }, "title": "entos: A Quantum Molecular Simulation Package", "ispublished": "unpub", "full_text_status": "public", "keywords": "Electronic Structure; Molecular Dynamics; path integrals; embedded mean field theory; DFT", "note": "License: CC BY-NC-ND 4.0. \n\nPreprint revised on 26.02.2019, 10:44 and posted on 26.02.2019, 19:29. \n\nWe gratefully acknowledge financial support from: the Engineering and Physical Sciences Research Council (EPSRC) (grants EP/M013111/1, EP/P022308/1, EP/R011656/1, EP/R014493/1); the EPSRC Centre for Doctoral Training in Theory and Modeling in the Chemical Sciences (EP/L015722/1); the Royal Society Newton\nInternational Fellowship programme; the U.S. Department of Energy (DE-FOA-0001912); the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy under Award No. DE-SC0004993; the Caltech Resnick Sustainability Institute, The Dow Chemical Company, and Toyota Central R&D Labs, Inc.\n\nSubmitted - ms.pdf
", "abstract": "entos is designed for ab initio MD simulations of molecular and condensed-phase chemical reactions and other processes, with particular focus on mean-field and quantum embedding methods for electronic structure. The entos software package is developed in the C++14 programming language with a structure that enables\nflexibility (by providing a long-term sustainable platform for development of methods in this area), efficiency (via task-based multi-threaded parallelism), and rigorous software engineering standards.", "date": "2020-01-11", "date_type": "published", "id_number": "CaltechAUTHORS:20200110-151818156", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20200110-151818156", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Engineering and Physical Sciences Research Council (EPSRC)", "grant_number": "EP/M013111/1" }, { "agency": "Engineering and Physical Sciences Research Council (EPSRC)", "grant_number": "EP/P022308/1" }, { "agency": "Engineering and Physical Sciences Research Council (EPSRC)", "grant_number": "EP/R011656/1" }, { "agency": "Engineering and Physical Sciences Research Council (EPSRC)", "grant_number": "EP/R014493/1" }, { "agency": "Engineering and Physical Sciences Research Council (EPSRC)", "grant_number": "EP/L015722/1" }, { "agency": "Royal Society" }, { "agency": "Department of Energy (DOE)", "grant_number": "DE-FOA-0001912" }, { "agency": "Joint Center for Artificial Photosynthesis (JCAP)" }, { "agency": "Department of Energy (DOE)", "grant_number": "DE-SC0004993" }, { "agency": "Resnick Sustainability Institute" }, { "agency": "Dow Chemical Company" }, { "agency": "Toyota Central R&D Laboratories" } ] }, "local_group": { "items": [ { "id": "JCAP" }, { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.26434/chemrxiv.7762646.v2", "primary_object": { "basename": "ms.pdf", "url": "https://authors.library.caltech.edu/records/289n3-tb344/files/ms.pdf" }, "pub_year": "2020", "author_list": "Manby, Frederick R.; Miller, Thomas F., III; et el." }, { "id": "https://authors.library.caltech.edu/records/h69cv-y1188", "eprint_id": 100487, "eprint_status": "archive", "datestamp": "2023-08-19 17:28:54", "lastmod": "2023-10-18 20:35:04", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Jhalani-V-A", "name": { "family": "Jhalani", "given": "Vatsal A." }, "orcid": "0000-0003-0866-0858" }, { "id": "Chen-Hsiao-Yi", "name": { "family": "Chen", "given": "Hsiao-Yi" }, "orcid": "0000-0003-1962-5767" }, { "id": "Palummo-Maurizia", "name": { "family": "Palummo", "given": "Maurizia" }, "orcid": "0000-0002-3097-8523" }, { "id": "Bernardi-Marco", "name": { "family": "Bernardi", "given": "Marco" }, "orcid": "0000-0001-7289-9666" } ] }, "title": "First-Principles Exciton Radiative Lifetimes in Wurtzite GaN", "ispublished": "unpub", "full_text_status": "public", "note": "The authors thank Davide Sangalli for fruitful discussions. V.A.J. thanks the Resnick Sustainability Institute at Caltech for fellowship support. This work was partially supported by the Department of Energy under Grant No. de-sc0019166, which provided for theory and method development, and by the National Science Foundation under Grant No. ACI-1642443, which provided for code development. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. M.P. thanks CINECA for computational resources.\n\nSubmitted - 1908.09962.pdf
", "abstract": "Gallium nitride (GaN) is a key semiconductor for solid-state lighting, but its radiative processes are not fully understood. Here we show a first-principles approach to accurately compute the radiative lifetimes in bulk uniaxial crystals, focusing on wurtzite GaN. Our computed radiative lifetimes are in very good agreement with experiment up to 100 K. We show that taking into account excitons (through the Bethe-Salpeter equation) and spin-orbit coupling to include the exciton fine structure is essential for computing accurate radiative lifetimes. A model for exciton dissociation into free carriers allows us to compute the radiative lifetimes up to room temperature. Our work enables precise radiative lifetime calculations in III-nitrides and other anisotropic solid-state emitters.", "date": "2020-01-08", "date_type": "published", "publisher": "arXiv", "id_number": "CaltechAUTHORS:20200103-093928953", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20200103-093928953", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Resnick Sustainability Institute" }, { "agency": "Department of Energy (DOE)", "grant_number": "DE-SC0019166" }, { "agency": "NSF", "grant_number": "ACI-1642443" }, { "agency": "Department of Energy (DOE)", "grant_number": "DE-AC02-05CH11231" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.48550/arXiv.1908.09962", "primary_object": { "basename": "1908.09962.pdf", "url": "https://authors.library.caltech.edu/records/h69cv-y1188/files/1908.09962.pdf" }, "pub_year": "2020", "author_list": "Jhalani, Vatsal A.; Chen, Hsiao-Yi; et el." }, { "id": "https://authors.library.caltech.edu/records/ncdc2-0yt10", "eprint_id": 96823, "eprint_status": "archive", "datestamp": "2023-09-15 06:19:49", "lastmod": "2023-10-23 21:25:24", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Gan-Lingwen", "name": { "family": "Gan", "given": "Lingwen" } }, { "id": "Li-Na", "name": { "family": "Li", "given": "Na" } }, { "id": "Topcu-U", "name": { "family": "Topcu", "given": "Ufuk" } }, { "id": "Low-S-H", "name": { "family": "Low", "given": "Steven H." }, "orcid": "0000-0001-6476-3048" } ] }, "title": "Exact Convex Relaxation of Optimal Power Flow in Tree Networks", "ispublished": "unpub", "full_text_status": "public", "note": "This work was supported by NSF NetSE grant CNS 0911041, ARPA-E\ngrant de-ar0000226, Southern California Edison, National Science Council of Taiwan, R.O.C, grant NSC 101-3113-P-008-001, Resnick Institute, Okawa Foundation, NSF CNS 1312390, DoE grant DE-EE000289, and AFOSR award number FA9550-12-1-0302.\n\nSubmitted - 1208.4076.pdf
", "abstract": "The optimal power flow (OPF) problem seeks to control power generation/demand to optimize certain objectives such as minimizing the generation cost or power loss in the network. It is becoming increasingly important for distribution networks, which are tree networks, due to the emergence of distributed generation and controllable loads. In this paper, we study the OPF problem in tree networks. The OPF problem is nonconvex. We prove that after a \"small\" modification to the OPF problem, its global optimum can be recovered via a second-order cone programming (SOCP) relaxation, under a \"mild\" condition that can be checked apriori. Empirical studies justify that the modification to OPF is \"small\" and that the \"mild\" condition holds for the IEEE 13-bus distribution network and two real-world networks with high penetration of distributed generation.", "date": "2019-06-28", "date_type": "published", "publisher": "arXiv", "id_number": "CaltechAUTHORS:20190628-105122130", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20190628-105122130", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "NSF", "grant_number": "CNS-0911041" }, { "agency": "Department of Energy (DOE)", "grant_number": "DE-AR0000226" }, { "agency": "Southern California Edison" }, { "agency": "National Science Council (Taipei)", "grant_number": "101-3113-P-008-001" }, { "agency": "Resnick Sustainability Institute" }, { "agency": "Okawa Foundation" }, { "agency": "NSF", "grant_number": "CNS-1312390" }, { "agency": "Department of Energy (DOE)", "grant_number": "DE-EE0002890" }, { "agency": "Air Force Office of Scientific Research (AFOSR)", "grant_number": "FA9550-12-1-0302" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.48550/arXiv.1208.4076", "primary_object": { "basename": "1208.4076.pdf", "url": "https://authors.library.caltech.edu/records/ncdc2-0yt10/files/1208.4076.pdf" }, "pub_year": "2019", "author_list": "Gan, Lingwen; Li, Na; et el." }, { "id": "https://authors.library.caltech.edu/records/5g3ad-4bt56", "eprint_id": 96804, "eprint_status": "archive", "datestamp": "2023-08-19 10:41:58", "lastmod": "2023-10-20 21:31:53", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Farivar-M", "name": { "family": "Farivar", "given": "Masoud" } }, { "id": "Low-S-H", "name": { "family": "Low", "given": "Steven H." }, "orcid": "0000-0001-6476-3048" } ] }, "title": "Branch Flow Model: Relaxations and Convexification (Parts I, II)", "ispublished": "unpub", "full_text_status": "public", "note": "We are grateful to S. Bose, K. M. Chandy and L. Gan of Caltech, C. Clarke, M. Montoya, and R. Sherick of the Southern California Edison (SCE), and B. Lesieutre of Wisconsin for helpful discussions. We acknowledge the support of NSF through NetSE grant CNS 0911041, DoE's ARPA-E through grant de-ar0000226, the National Science Council of Taiwan (R. O. C.) through grant NSC 101-3113-P-008-001, SCE, the Resnick Institute of Caltech, Cisco, and the Okawa Foundation.\n\nSubmitted - 1204.4865.pdf
", "abstract": "We propose a branch flow model for the analysis and optimization of mesh as well as radial networks. The model leads to a new approach to solving optimal power flow (OPF) problems that consists of two relaxation steps. The first step eliminates the voltage and current angles and the second step approximates the resulting problem by a conic program that can be solved efficiently. For radial networks, we prove that both relaxation steps are always exact, provided there are no upper bounds on loads. For mesh networks, the conic relaxation is always exact and we characterize when the angle relaxation may fail. We propose a simple method to convexify a mesh network using phase shifters so that both relaxation steps are always exact and OPF for the convexified network can always be solved efficiently for a globally optimal solution. We prove that convexification requires phase shifters only outside a spanning tree of the network graph and their placement depends only on network topology, not on power flows, generation, loads, or operating constraints. Since power networks are sparse, the number of required phase shifters may be relatively small.", "date": "2019-06-28", "date_type": "published", "id_number": "CaltechAUTHORS:20190628-073720381", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20190628-073720381", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "NSF", "grant_number": "CNS-0911041" }, { "agency": "ARPA-E", "grant_number": "DE-AR0000226" }, { "agency": "National Science Council (Taipei)", "grant_number": "101-3113-P-008-001" }, { "agency": "Southern California Edison" }, { "agency": "Resnick Sustainability Institute" }, { "agency": "Cisco" }, { "agency": "Okawa Foundation" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "doi": "10.48550/arXiv.1204.4865", "primary_object": { "basename": "1204.4865.pdf", "url": "https://authors.library.caltech.edu/records/5g3ad-4bt56/files/1204.4865.pdf" }, "pub_year": "2019", "author_list": "Farivar, Masoud and Low, Steven H." }, { "id": "https://authors.library.caltech.edu/records/k3zg1-spq66", "eprint_id": 84880, "eprint_status": "archive", "datestamp": "2023-08-19 05:14:13", "lastmod": "2023-10-18 16:47:23", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Sherrott-Michelle-C", "name": { "family": "Sherrott", "given": "Michelle C." }, "orcid": "0000-0002-7503-9714" }, { "id": "Whitney-William-S", "name": { "family": "Whitney", "given": "William S." }, "orcid": "0000-0001-5269-2967" }, { "id": "Jariwala-Deep", "name": { "family": "Jariwala", "given": "Deep" }, "orcid": "0000-0002-3570-8768" }, { "id": "Went-Cora-M", "name": { "family": "Went", "given": "Cora M." } }, { "id": "Wong-Joeson", "name": { "family": "Wong", "given": "Joeson" }, "orcid": "0000-0002-6304-7602" }, { "id": "Rossman-G-R", "name": { "family": "Rossman", "given": "George R." }, "orcid": "0000-0002-4571-6884" }, { "id": "Atwater-H-A", "name": { "family": "Atwater", "given": "Harry A." }, "orcid": "0000-0001-9435-0201" } ] }, "title": "Electrical Control of Linear Dichroism in Black Phosphorus from the Visible to Mid-Infrared", "ispublished": "unpub", "full_text_status": "public", "note": "The authors gratefully acknowledge support from the Department of Energy, Office of Science under Grant DE-FG02-07ER46405 and for facilities of the DOE \"Light-Material Interactions in Energy Conversion\" Energy Frontier Research Center (DE-SC0001293). W.S.W. also acknowledges support from an NDSEG Graduate Research Fellowship. M.C.S., D.J. and C.M.W. acknowledge fellowship support from the Resnick Institute. J.W. acknowledges support from the National Science Foundation Graduate Research Fellowship under grant no. 1144469.\n\nSubmitted - 1710.00131.pdf
", "abstract": "The incorporation of electrically tunable materials into photonic structures such as waveguides and metasurfaces enables dynamic control of light propagation by an applied potential. While many materials have been shown to exhibit electrically tunable permittivity and dispersion, including transparent conducting oxides (TCOs) and III-V semiconductors and quantum wells, these materials are all optically isotropic in the propagation plane. In this work, we report the first known example of electrically tunable linear dichroism, observed here in few-layer black phosphorus (BP), which is a promising candidate for multi-functional, broadband, tunable photonic elements. We measure active modulation of the linear dichroism from the mid-infrared to visible frequency range, which is driven by anisotropic quantum-confined Stark and Burstein-Moss effects, and field-induced forbidden-to-allowed optical transitions. Moreover, we observe high BP absorption modulation strengths, approaching unity for certain thicknesses and photon energies.", "date": "2018-02-22", "date_type": "published", "id_number": "CaltechAUTHORS:20180220-074419931", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20180220-074419931", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Department of Energy (DOE)", "grant_number": "DE-FG02-07ER46405" }, { "agency": "Department of Energy (DOE)", "grant_number": "DE-SC0001293" }, { "agency": "National Defense Science and Engineering Graduate (NDSEG) Fellowship" }, { "agency": "Resnick Sustainability Institute" }, { "agency": "NSF Graduate Research Fellowship", "grant_number": "DGE-1144469" } ] }, "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" }, { "id": "Division-of-Geological-and-Planetary-Sciences" } ] }, "doi": "10.48550/arXiv.1710.00131", "primary_object": { "basename": "1710.00131.pdf", "url": "https://authors.library.caltech.edu/records/k3zg1-spq66/files/1710.00131.pdf" }, "pub_year": "2018", "author_list": "Sherrott, Michelle C.; Whitney, William S.; et el." }, { "id": "https://authors.library.caltech.edu/records/t5kk4-21c90", "eprint_id": 82579, "eprint_status": "archive", "datestamp": "2023-08-19 04:36:55", "lastmod": "2023-10-17 22:32:09", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Tagliabue-Giulia", "name": { "family": "Tagliabue", "given": "Giulia" }, "orcid": "0000-0003-4587-728X" }, { "id": "Jermyn-Adam-S", "name": { "family": "Jermyn", "given": "Adam S." }, "orcid": "0000-0001-5048-9973" }, { "id": "Sundararaman-Ravishankar", "name": { "family": "Sundararaman", "given": "Ravishankar" }, "orcid": "0000-0002-0625-4592" }, { "id": "Welch-Alex-J", "name": { "family": "Welch", "given": "Alex J." }, "orcid": "0000-0003-2132-9617" }, { "id": "DuChene-Joseph-S", "name": { "family": "DuChene", "given": "Joseph S." }, "orcid": "0000-0002-7145-323X" }, { "id": "Davoyan-Artur-R", "name": { "family": "Davoyan", "given": "Artur R." }, "orcid": "0000-0002-4662-1158" }, { "id": "Narang-Prineha", "name": { "family": "Narang", "given": "Prineha" }, "orcid": "0000-0003-3956-4594" }, { "id": "Atwater-H-A", "name": { "family": "Atwater", "given": "Harry A." }, "orcid": "0000-0001-9435-0201" } ] }, "title": "Hot Carrier Dynamics in Photoexcited Gold Nanostructures: Role of Interband Excitations and Evidence for Ballistic Transport", "ispublished": "unpub", "full_text_status": "public", "note": "This material is based upon work performed by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy under Award No. DE-SC0004993. R.S., A.S.J., and P.N. acknowledge support from NG NEXT at Northrop Grumman Corporation. Calculations in this work used\nthe National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office\nof Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. A.D. and H.A.A. acknowledge\nsupport from the Air Force Office of Scientific Research under grant FA9550-16-1-0019. G.T. acknowledges support from\nthe Swiss National Science Foundation through the Early Postdoc Mobility Fellowship, grant n. P2EZP2_159101. P.N.\nacknowledges support from the Harvard University Center for the Environment (HUCE). A.S.J. thanks the UK Marshall\nCommission and the US Goldwater Scholarship for financial support. AJW acknowledges support from the National\nScience Foundation (NSF) under Award No. 2016217021.\n\nSubmitted - 1708.02187.pdf
", "abstract": "Harnessing short-lived photoexcited electron-hole pairs in metal nanostructures has the potential to define a new phase of optoelectronics, enabling control of athermal mechanisms for light harvesting, photodetection and photocatalysis. To date, however, the spatiotemporal dynamics and transport of these photoexcited carriers have been only qualitatively characterized. Plasmon excitation has been widely viewed as an efficient mechanism for generating non-thermal hot carriers. Despite numerous experiments, conclusive evidence elucidating and quantifying the full dynamics of hot carrier generation, transport, and injection has not been reported. Here, we combine experimental measurements with coupled first-principles electronic structure theory and Boltzmann transport calculations to provide unprecedented insight into the internal quantum efficiency, and hence internal physics, of hot carriers in photoexcited gold (Au)-gallium nitride (GaN) nanostructures. Our results indicate that photoexcited electrons generated in 20 nm-thick Au nanostructures impinge ballistically on the Au-GaN interface. This discovery suggests that the energy of hot carriers could be harnessed from metal nanostructures without substantial losses via thermalization. Measurements and calculations also reveal the important role of metal band structure in hot carrier generation at energies above the interband threshold of the plasmonic nanoantenna. Taken together, our results advance the understanding of excited carrier dynamics in realistically-scaled metallic nanostructures and lay the foundations for the design of new optoelectronic devices that operate in the ballistic regime.", "date": "2017-10-24", "date_type": "published", "id_number": "CaltechAUTHORS:20171023-104952776", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20171023-104952776", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "funders": { "items": [ { "agency": "Department of Energy (DOE)", "grant_number": "DE-SC0004993" }, { "agency": "Northrop Grumman Corporation" }, { "agency": "Department of Energy (DOE)", "grant_number": "DE-AC02-05CH11231" }, { "agency": "Air Force Office of Scientific Research (AFOSR)", "grant_number": "FA9550-16-1-0019" }, { "agency": "Swiss National Science Foundation (SNSF)", "grant_number": "P2EZP2_159101" }, { "agency": "Harvard University" }, { "agency": "Marshall Commission" }, { "agency": "Barry M. Goldwater Scholarship" }, { "agency": "NSF", "grant_number": "2016217021" } ] }, "local_group": { "items": [ { "id": "JCAP" }, { "id": "Resnick-Sustainability-Institute" }, { "id": "Kavli-Nanoscience-Institute" } ] }, "doi": "10.48550/arXiv.1708.02187", "primary_object": { "basename": "1708.02187.pdf", "url": "https://authors.library.caltech.edu/records/t5kk4-21c90/files/1708.02187.pdf" }, "pub_year": "2017", "author_list": "Tagliabue, Giulia; Jermyn, Adam S.; et el." }, { "id": "https://authors.library.caltech.edu/records/ef5kx-3en85", "eprint_id": 48575, "eprint_status": "archive", "datestamp": "2023-08-20 02:12:54", "lastmod": "2023-10-17 19:27:22", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "De-Martini-P", "name": { "family": "De Martini", "given": "Paul" } } ] }, "title": "MORE THAN SMART: A Framework to Make the Distribution Grid More Open, Efficient and Resilient", "ispublished": "unpub", "full_text_status": "public", "note": "Published - More-Than-Smart-Report-by-GTLG-and-Caltech.pdf
", "abstract": "This paper is the result of a series of workshops with industry, government and nonprofit leaders focused on helping guide future utility investments\nand planning for a new distributed generation system. The distributed grid is the final stage in the delivery of electric power linking electricity\nsub-stations to customers. To date, no state has initiated a comprehensive effort that includes the planning,\ndesign-build and operational requirements for large\nscale integration of DER into state-wide distributed\ngeneration systems. This paper provides a framework and guiding principles for how to initiate such a\nsystem and can be used to implement California law\nAB 327 passed in 2013 requiring investor owned\nutilities to submit a DER plan to the CPUC by July\n2015 that identifies their optimal deployment\nlocations.", "date": "2014-08-14", "date_type": "published", "publisher": "Greentech Leadership Group", "id_number": "CaltechAUTHORS:20140814-141806869", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20140814-141806869", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "corp_creators": { "items": [ "Resnick Sustainability Institute", "Greentech Leadership Group" ] }, "primary_object": { "basename": "More-Than-Smart-Report-by-GTLG-and-Caltech.pdf", "url": "https://authors.library.caltech.edu/records/ef5kx-3en85/files/More-Than-Smart-Report-by-GTLG-and-Caltech.pdf" }, "pub_year": "2014", "author_list": "De Martini, Paul" }, { "id": "https://authors.library.caltech.edu/records/9e78n-7cc47", "eprint_id": 41879, "eprint_status": "archive", "datestamp": "2023-08-19 09:15:40", "lastmod": "2023-10-25 14:52:12", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "De-Martini-P", "name": { "family": "De Martini", "given": "Paul" } }, { "id": "Chandy-K-M", "name": { "family": "Chandy", "given": "K. Mani" } }, { "id": "Fromer-N-A", "name": { "family": "Fromer", "given": "N. A." } } ] }, "title": "Grid 2020: Towards a Policy of Renewable and Distributed Energy Resources", "ispublished": "unpub", "full_text_status": "public", "note": "The Resnick Institute thanks discussion leaders, speakers, report contributors\nand reviewers: Steven Low, Sean Meyn, Desmond Cai, Adam Wierman, Eilyan\nBitar, Sachin Adlakha, Gary Polakovic and the participants in the Resnick Institute's\nManaging Uncertainty: Incorporating Intermittent Renewable Energy Into\nthe Power Grid Workshop, October 2011.\n\nPublished - R_Grid.pdf
", "abstract": "Caltech's Resnick Sustainability Institute fosters transformational\nadvances in energy science and technology through research, education\nand communication. Through its activities, the Institute strives to identify\nand address the most important outstanding challenges and issues in the\ngeneration, storage, transmission, conversion and conservation of energy.\nTo this end, the Institute provides leadership in brokering discussions on\nenergy and sustainability issues among panels of international experts in\ngovernment, academia, and industry. As part of its outreach, the Institute\nissues summary reports documenting these compelling events.\nThe Resnick Institute is solely responsible for the content of this report. The\nviews expressed herein do not necessarily reflect the views of participants\nin these discussions. This report has been independently prepared by the\nResnick Institute to support our efforts to communicate critical energy\nissues to a broad range of stakeholders.\nWe would like to thank the experts who contributed time and information\nfor their willingness to engage in the candid discussions and debate that\ninformed this report.", "date": "2012", "date_type": "published", "publisher": "Caltech Library", "id_number": "CaltechAUTHORS:20131010-162127988", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20131010-162127988", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "primary_object": { "basename": "R_Grid.pdf", "url": "https://authors.library.caltech.edu/records/9e78n-7cc47/files/R_Grid.pdf" }, "pub_year": "2012", "author_list": "De Martini, Paul; Chandy, K. Mani; et el." }, { "id": "https://authors.library.caltech.edu/records/61e2c-aas81", "eprint_id": 32727, "eprint_status": "archive", "datestamp": "2023-08-19 07:55:19", "lastmod": "2023-10-20 21:50:14", "type": "monograph", "metadata_visibility": "show", "creators": { "items": [ { "id": "Fromer-N-A", "name": { "family": "Fromer", "given": "N. A." } }, { "id": "Eggert-R-G", "name": { "family": "Eggert", "given": "Roderick G." } }, { "id": "Lifton-J", "name": { "family": "Lifton", "given": "Jack" } } ] }, "title": "Critical Materials For Sustainable Energy Applications", "ispublished": "unpub", "full_text_status": "public", "note": "Published - ri_criticalmaterials_report.pdf
", "date": "2011-09", "date_type": "published", "publisher": "Caltech Library", "id_number": "CaltechAUTHORS:20120725-163934866", "official_url": "https://resolver.caltech.edu/CaltechAUTHORS:20120725-163934866", "rights": "No commercial reproduction, distribution, display or performance rights in this work are provided.", "local_group": { "items": [ { "id": "Resnick-Sustainability-Institute" } ] }, "contributors": { "items": [ { "id": "Fromer-N", "name": { "family": "Fromer", "given": "Neil" } }, { "id": "Eggert-R-G", "name": { "family": "Eggert", "given": "Roderick G." } }, { "id": "Lifton-J", "name": { "family": "Lifton", "given": "Jack" } } ] }, "corp_creators": { "items": [ "Resnick Sustainability Institute" ] }, "primary_object": { "basename": "ri_criticalmaterials_report.pdf", "url": "https://authors.library.caltech.edu/records/61e2c-aas81/files/ri_criticalmaterials_report.pdf" }, "pub_year": "2011", "author_list": "Fromer, N. A.; Eggert, Roderick G.; et el." } ]