@article{https://authors.library.caltech.edu/records/rhxkg-vj009,
    title = "State-specific protein–ligand complex structure prediction with a multiscale deep generative model",
    journal = "Nature Machine Intelligence",
    url = "https://authors.library.caltech.edu/records/rhxkg-vj009",
    id = "record",
    issn = "2522-5839",
    doi = "10.1038/s42256-024-00792-z"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20230209-988069100.19,
    title = "Exploring PROTAC Cooperativity with Coarse-Grained Alchemical Methods",
    journal = "Journal of Physical Chemistry B",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20230209-988069100.19",
    id = "record",
    issn = "1520-6106",
    doi = "10.1021/acs.jpcb.2c05795",
    volume = "127",
    pmcid = "PMC9869335"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20221017-15547800.39,
    title = "\#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol",
    journal = "International Journal of High Performance Computing Applications",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20221017-15547800.39",
    id = "record",
    issn = "1094-3420",
    doi = "10.1177/10943420221128233",
    volume = "37",
    pmcid = "PMC9527558"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20221110-414654600.1,
    title = "Molecular-orbital-based machine learning for open-shell and multi-reference systems with kernel addition Gaussian process regression",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20221110-414654600.1",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/5.0110886",
    volume = "157"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20221011-128968500.22,
    title = "Solution-Phase Conformational/Vibrational Anharmonicity in Comonomer Incorporation Polyolefin Catalysis",
    journal = "Journal of Physical Chemistry A",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20221011-128968500.22",
    id = "record",
    issn = "1089-5639",
    doi = "10.1021/acs.jpca.2c04038",
    volume = "126"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20221010-454096500.3,
    title = "Molecular dipole moment learning via rotationally equivariant derivative kernels in molecular-orbital-based machine learning",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20221010-454096500.3",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/5.0101280",
    volume = "157"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20220517-214308613,
    title = "Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space",
    journal = "Journal of Chemical Theory and Computation",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20220517-214308613",
    id = "record",
    issn = "1549-9618",
    doi = "10.1021/acs.jctc.2c00396",
    volume = "18"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20220720-918328000,
    title = "Phosphine-Phenoxide Nickel Catalysts for Ethylene/Acrylate Copolymerization: Olefin Coordination and Complex Isomerization Studies Relevant to the Mechanism of Catalysis",
    journal = "Organometallics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20220720-918328000",
    id = "record",
    issn = "0276-7333",
    doi = "10.1021/acs.organomet.2c00241",
    volume = "41"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20210831-203900979,
    title = "Informing geometric deep learning with electronic interactions to accelerate quantum chemistry",
    journal = "Proceedings of the National Academy of Sciences",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210831-203900979",
    id = "record",
    issn = "0027-8424",
    doi = "10.1073/pnas.2205221119",
    volume = "119",
    pmcid = "PMC9351474"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20220721-8916000,
    title = "Fast Near Ab Initio Potential Energy Surfaces Using Machine Learning",
    journal = "Journal of Physical Chemistry A",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20220721-8916000",
    id = "record",
    issn = "1089-5639",
    doi = "10.1021/acs.jpca.2c02243",
    volume = "126"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20220223-214612882,
    title = "Equilibrium–nonequilibrium ring-polymer molecular dynamics for nonlinear spectroscopy",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20220223-214612882",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/5.0087156",
    volume = "156"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20210312-124533397,
    title = "Coordination of -1 programmed ribosomal frameshifting by transcript and nascent chain features revealed by deep mutational scanning",
    journal = "Nucleic Acids Research",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210312-124533397",
    id = "record",
    issn = "0305-1048",
    doi = "10.1093/nar/gkab1172",
    volume = "49",
    pmcid = "PMC8682741"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20210507-093059787,
    title = "Experimental and theoretical determinations of hydrogen isotopic equilibrium in the system CH₄-H₂-H₂O from 3 to 200°C",
    journal = "Geochimica et Cosmochimica Acta",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210507-093059787",
    id = "record",
    issn = "0016-7037",
    doi = "10.1016/j.gca.2021.04.026",
    volume = "314"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20210831-203931813,
    title = "OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210831-203931813",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/5.0061990",
    volume = "155"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20210830-230029193,
    title = "Li⁺ and Oxidant Addition To Control Ionic and Electronic Conduction in Ionic Liquid-Functionalized Conjugated Polymers",
    journal = "Chemistry of Materials",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210830-230029193",
    id = "record",
    issn = "0897-4756",
    doi = "10.1021/acs.chemmater.1c01811",
    volume = "33"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20210830-230029026,
    title = "Stern and Diffuse Layer Interactions during Ionic Strength Cycling",
    journal = "Journal of Physical Chemistry C",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210830-230029026",
    id = "record",
    issn = "1932-7447",
    doi = "10.1021/acs.jpcc.1c04836",
    volume = "125"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20210721-172302557,
    title = "Electronic Structure of Superoxidized Radical Cationic Dodecaborate-Based Clusters",
    journal = "Journal of Physical Chemistry A",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210721-172302557",
    id = "record",
    issn = "1089-5639",
    doi = "10.1021/acs.jpca.1c03927",
    volume = "125"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20210412-101224507,
    title = "A New Imaginary Term in the Second-Order Nonlinear Susceptibility from Charged Interfaces",
    journal = "Journal of Physical Chemistry Letters",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210412-101224507",
    id = "record",
    issn = "1948-7185",
    doi = "10.1021/acs.jpclett.1c01103",
    volume = "12"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20201021-082852041,
    title = "Force transduction creates long-ranged coupling in ribosomes stalled by arrest peptides",
    journal = "Biophysical Journal",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20201021-082852041",
    id = "record",
    issn = "0006-3495",
    doi = "10.1016/j.bpj.2021.03.041",
    volume = "120"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20210430-120931834,
    title = "Efficient Copolymerization of Acrylate and Ethylene with Neutral P, O-Chelated Nickel Catalysts: Mechanistic Investigations of Monomer Insertion and Chelate Formation",
    journal = "Journal of the American Chemical Society",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210430-120931834",
    id = "record",
    issn = "0002-7863",
    doi = "10.1021/jacs.1c00566",
    volume = "143"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20200914-111809398,
    title = "Machine Learning Solvation Environments in Conductive Polymers: Application to ProDOT-2Hex with Solvent Swelling",
    journal = "Macromolecules",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200914-111809398",
    id = "record",
    issn = "0024-9297",
    doi = "10.1021/acs.macromol.0c02132",
    volume = "54"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20210119-161656738,
    title = "Analytical gradients for molecular-orbital-based machine learning",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210119-161656738",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/5.0040782",
    volume = "154"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20210119-101412986,
    title = "Interfacial Electron Transfer and Ion Solvation in the Solid Electrolyte Interphase",
    journal = "Journal of Physical Chemistry C",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210119-101412986",
    id = "record",
    issn = "1932-7447",
    doi = "10.1021/acs.jpcc.0c11194",
    volume = "125"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20210218-150439555,
    title = "Small Nuclear Quantum Effects in Scattering of H and D from Graphene",
    journal = "Journal of Physical Chemistry Letters",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210218-150439555",
    id = "record",
    issn = "1948-7185",
    doi = "10.1021/acs.jpclett.0c02933",
    volume = "12"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20201110-142606934,
    title = "Improved accuracy and transferability of molecular-orbital-based machine learning: Organics, transition-metal complexes, non-covalent interactions, and transition states",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20201110-142606934",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/5.0032362",
    volume = "154"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20200929-122616290,
    title = "Residue-by-residue analysis of cotranslational membrane protein integration in vivo",
    journal = "eLife",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200929-122616290",
    id = "record",
    issn = "2050-084X",
    doi = "10.7554/eLife.64302",
    volume = "10"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20201203-151032238,
    title = "A generalized class of strongly stable and dimension-free T-RPMD integrators",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20201203-151032238",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/5.0036954",
    volume = "154",
    pmcid = "PMC7796824"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20201021-121820625,
    title = "Dihexyl-Substituted Poly(3,4-Propylenedioxythiophene) as a Dual Ionic and Electronic Conductive Cathode Binder for Lithium-Ion Batteries",
    journal = "Chemistry of Materials",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20201021-121820625",
    id = "record",
    issn = "0897-4756",
    doi = "10.1021/acs.chemmater.0c02601",
    volume = "32"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20201105-152206366,
    title = "The Journal of Physical Chemistry A/B/C Virtual Special Issue on Machine Learning in Physical Chemistry",
    journal = "Journal of Physical Chemistry C",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20201105-152206366",
    id = "record",
    issn = "1932-7447",
    doi = "10.1021/acs.jpcc.0c09208",
    volume = "124"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20201105-152206567,
    title = "The Journal of Physical Chemistry A/B/C Virtual Special Issue on Machine Learning in Physical Chemistry",
    journal = "Journal of Physical Chemistry A",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20201105-152206567",
    id = "record",
    issn = "1089-5639",
    doi = "10.1021/acs.jpca.0c09205",
    volume = "124"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20201105-152206460,
    title = "The Journal of Physical Chemistry A/B/C Virtual Special Issue on Machine Learning in Physical Chemistry",
    journal = "Journal of Physical Chemistry B",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20201105-152206460",
    id = "record",
    issn = "1520-6106",
    doi = "10.1021/acs.jpcb.0c09206",
    volume = "124"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20200909-152203413,
    title = "Sum-Frequency Signals in 2D-Terahertz-Terahertz-Raman Spectroscopy",
    journal = "Journal of Physical Chemistry B",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200909-152203413",
    id = "record",
    issn = "1520-6106",
    doi = "10.1021/acs.jpcb.0c07935",
    volume = "124"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20200818-095759329,
    title = "OrbNet: Deep learning for quantum chemistry using symmetry-adapted atomic-orbital features",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200818-095759329",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/5.0021955",
    volume = "153"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20200901-095615539,
    title = "Electronically Modified Cobalt Aminopyridine Complexes Reveal an Orthogonal Axis for Catalytic Optimization for CO₂ Reduction",
    journal = "Inorganic Chemistry",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200901-095615539",
    id = "record",
    issn = "0020-1669",
    doi = "10.1021/acs.inorgchem.0c02086",
    volume = "59"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20200713-085326752,
    title = "A Super-Oxidized Radical Cationic Icosahedral Boron Cluster",
    journal = "Journal of the American Chemical Society",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200713-085326752",
    id = "record",
    issn = "0002-7863",
    doi = "10.1021/jacs.0c06159",
    volume = "142"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20200526-141455955,
    title = "Embedded Mean-Field Theory for Solution-Phase Transition-Metal Polyolefin Catalysis",
    journal = "Journal of Chemical Theory and Computation",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200526-141455955",
    id = "record",
    issn = "1549-9618",
    doi = "10.1021/acs.jctc.0c00169",
    volume = "16"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20191003-111416580,
    title = "Cotranslational Folding Stimulates Programmed Ribosomal Frameshifting in the Alphavirus Structural Polyprotein",
    journal = "Journal of Biological Chemistry",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20191003-111416580",
    id = "record",
    issn = "0021-9258",
    doi = "10.1074/jbc.RA120.012706",
    volume = "295",
    pmcid = "PMC7242702"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20200413-101102938,
    title = "Molpro quantum chemistry package",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200413-101102938",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/5.0005081",
    volume = "152"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20200303-084230635,
    title = "Microcanonical rates from ring-polymer molecular dynamics: Direct-shooting, stationary-phase, and maximum-entropy approaches",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200303-084230635",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.5144307",
    volume = "152"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20200304-160026575,
    title = "Dynamics of Co-translational Membrane Protein Integration and Translocation via the Sec Translocon",
    journal = "Journal of the American Chemical Society",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20200304-160026575",
    id = "record",
    issn = "0002-7863",
    doi = "10.1021/jacs.9b07820",
    volume = "142"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20191216-155842954,
    title = "Dimension-free path-integral molecular dynamics without preconditioning",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20191216-155842954",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.5134810",
    volume = "152"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20191029-105305218,
    title = "Comparison of Experimental vs Theoretical Abundances of ¹³CH₃D and ¹²CH₂D₂ for Isotopically Equilibrated Systems from 1 to 500 °C",
    journal = "ACS Earth and Space Chemistry",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20191029-105305218",
    id = "record",
    issn = "2472-3452",
    doi = "10.1021/acsearthspacechem.9b00244",
    volume = "3"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20191023-150600399,
    title = "Regression-clustering for Improved Accuracy and Training Cost with Molecular-Orbital-Based Machine Learning",
    journal = "Journal of Chemical Theory and Computation",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20191023-150600399",
    id = "record",
    issn = "1549-9618",
    doi = "10.1021/acs.jctc.9b00884",
    volume = "15"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20191024-130308856,
    title = "Fluoride-ion solvation in non-aqueous electrolyte solutions",
    journal = "Materials Chemistry Frontiers",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20191024-130308856",
    id = "record",
    issn = "2052-1529",
    doi = "10.1039/c9qm00512a",
    volume = "3"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20191029-104519003,
    title = "Path-accelerated stochastic molecular dynamics: Parallel-in-time integration using path integrals",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20191029-104519003",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.5125455",
    volume = "151"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20191002-094950660,
    title = "Real-time density-matrix coupled-cluster approach for closed and open systems at finite temperature",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20191002-094950660",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.5121749",
    volume = "151"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20190923-153207121,
    title = "Cayley modification for strongly stable path-integral and ring-polymer molecular dynamics",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20190923-153207121",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.5120282",
    volume = "151"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20190722-154828594,
    title = "Interpretation of the THz-THz-Raman Spectrum of Bromoform",
    journal = "Journal of Physical Chemistry A",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20190722-154828594",
    id = "record",
    issn = "1089-5639",
    doi = "10.1021/acs.jpca.9b05165",
    volume = "123"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20190513-111036074,
    title = "Analytical Gradients for Projection-Based Wavefunction-in-DFT Embedding",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20190513-111036074",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.5109882",
    volume = "151"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20190729-125131912,
    title = "Energy Conversion via Metal Nanolayers",
    journal = "Proceedings of the National Academy of Sciences of the United States of America",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20190729-125131912",
    id = "record",
    issn = "0027-8424",
    doi = "10.1073/pnas.1906601116",
    volume = "116",
    pmcid = "PMC6697787"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20190524-082754901,
    title = "Direct dioxygen evolution in collisions of carbon dioxide with surfaces",
    journal = "Nature Communications",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20190524-082754901",
    id = "record",
    issn = "2041-1723",
    doi = "10.1038/s41467-019-10342-6",
    volume = "10",
    pmcid = "PMC6534623"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20190412-101432323,
    title = "Projection-Based Wavefunction-in-DFT Embedding",
    journal = "Accounts of Chemical Research",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20190412-101432323",
    id = "record",
    issn = "0001-4842",
    doi = "10.1021/acs.accounts.8b00672",
    volume = "52"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20190425-132430583,
    title = "Imaging covalent bond formation by H atom scattering from graphene",
    journal = "Science",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20190425-132430583",
    id = "record",
    issn = "0036-8075",
    doi = "10.1126/science.aaw6378",
    volume = "364"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20190415-085751643,
    title = "A universal density matrix functional from molecular orbital-based machine learning: Transferability across organic molecules",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20190415-085751643",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.5088393",
    volume = "150"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20190225-105719386,
    title = "A Simple Flux-Side Formulation of State-Resolved Thermal Reaction Rates for Ring-Polymer Surface Hopping",
    journal = "Journal of Physical Chemistry A",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20190225-105719386",
    id = "record",
    issn = "1089-5639",
    doi = "10.1021/acs.jpca.9b00877",
    volume = "123"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20190219-103922051,
    title = "Dynamics of Co-Translational Membrane Integration",
    journal = "Biophysical Journal",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20190219-103922051",
    id = "record",
    issn = "0006-3495",
    doi = "10.1016/j.bpj.2018.11.096",
    volume = "116"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20181206-162701046,
    title = "Room-temperature cycling of metal fluoride electrodes: Liquid electrolytes for high-energy fluoride ion cells",
    journal = "Science",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20181206-162701046",
    id = "record",
    issn = "0036-8075",
    doi = "10.1126/science.aat7070",
    volume = "362"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20181010-105319720,
    title = "Forces on nascent polypeptides during membrane insertion and translocation via the Sec translocon",
    journal = "Biophysical Journal",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20181010-105319720",
    id = "record",
    issn = "0006-3495",
    doi = "10.1016/j.bpj.2018.10.002",
    volume = "115",
    pmcid = "PMC6303271"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20181008-145630347,
    title = "Even-handed subsystem selection in projection-based embedding",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20181008-145630347",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.5050533",
    volume = "149"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20180724-153741211,
    title = "Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis",
    journal = "Journal of Chemical Theory and Computation",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20180724-153741211",
    id = "record",
    issn = "1549-9618",
    doi = "10.1021/acs.jctc.8b00636",
    volume = "14"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20180606-124846827,
    title = "Globally Suppressed Dynamics in Ion-Doped Polymers",
    journal = "ACS Macro Letters",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20180606-124846827",
    id = "record",
    issn = "2161-1653",
    doi = "10.1021/acsmacrolett.8b00237",
    volume = "7"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20180529-142106727,
    title = "Fluctuating hydrogen-bond networks govern anomalous electron transfer kinetics in a blue copper protein",
    journal = "Proceedings of the National Academy of Sciences of the United States of America",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20180529-142106727",
    id = "record",
    issn = "0027-8424",
    doi = "10.1073/pnas.1805719115",
    volume = "115",
    pmcid = "PMC6004490"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20180403-132507860,
    title = "Optimizing Ion Transport in Polyether-Based Electrolytes for Lithium Batteries",
    journal = "Macromolecules",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20180403-132507860",
    id = "record",
    issn = "0024-9297",
    doi = "10.1021/acs.macromol.7b02706",
    volume = "51"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20180315-111119688,
    title = "Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO₂ Reduction",
    journal = "ACS Central Science",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20180315-111119688",
    id = "record",
    issn = "2374-7943",
    doi = "10.1021/acscentsci.7b00607",
    volume = "4",
    pmcid = "PMC5879468"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20171212-125750800,
    title = "Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20171212-125750800",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.5005544",
    volume = "148"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20180523-143936913,
    title = "Two-Step Membrane Binding by the Bacterial SRP Receptor Enables Efficient and Accurate Co-Translational Protein Targeting",
    journal = "Biophysical Journal",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20180523-143936913",
    id = "record",
    issn = "0006-3495",
    doi = "10.1016/j.bpj.2017.11.1170",
    volume = "114"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20170925-084831113,
    title = "Improving membrane protein expression by optimizing integration efficiency",
    journal = "Journal of Biological Chemistry",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20170925-084831113",
    id = "record",
    issn = "0021-9258",
    doi = "10.1074/jbc.M117.813469",
    volume = "292",
    pmcid = "PMC5702688"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20170914-123518924,
    title = "2D THz-THz-Raman Photon-Echo Spectroscopy of Molecular Vibrations in Liquid Bromoform",
    journal = "Journal of Physical Chemistry Letters",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20170914-123518924",
    id = "record",
    issn = "1948-7185",
    doi = "10.1021/acs.jpclett.7b02106",
    volume = "8"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20170816-075909755,
    title = "Linear-response time-dependent embedded mean-field theory",
    journal = "Journal of Chemical Theory and Computation",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20170816-075909755",
    id = "record",
    issn = "1549-9618",
    doi = "10.1021/acs.jctc.7b00666",
    volume = "13"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20170508-080116014,
    title = "Density-based errors in mixed-basis mean-field electronic structure, with implications for embedding and QM/MM methods",
    journal = "Chemical Physics Letters",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20170508-080116014",
    id = "record",
    issn = "0009-2614",
    doi = "10.1016/j.cplett.2017.04.059",
    volume = "683"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20170731-091633412,
    title = "Two-step membrane binding by the bacterial SRP receptor enable efficient and accurate Co-translational protein targeting",
    journal = "eLife",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20170731-091633412",
    id = "record",
    issn = "2050-084X",
    doi = "10.7554/eLife.25885",
    volume = "6",
    pmcid = "PMC5533587"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20170320-094437871,
    title = "Embedded Mean-Field Theory with Block-Orthogonalized Partitioning",
    journal = "Journal of Chemical Theory and Computation",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20170320-094437871",
    id = "record",
    issn = "1549-9618",
    doi = "10.1021/acs.jctc.6b01065",
    volume = "13"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20170322-074051393,
    title = "Designing Polymer Electrolytes for Safe and High Capacity Rechargeable Lithium Batteries",
    journal = "Accounts of Chemical Research",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20170322-074051393",
    id = "record",
    issn = "0001-4842",
    doi = "10.1021/acs.accounts.6b00568",
    volume = "50"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20170327-100147291,
    title = "Structurally detailed coarse-grained model for Sec-facilitated co-translational protein translocation and membrane integration",
    journal = "PLOS Computational Biology",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20170327-100147291",
    id = "record",
    issn = "1553-7358",
    doi = "10.1371/journal.pcbi.1005427",
    volume = "13",
    pmcid = "PMC5381951"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20170228-160004168,
    title = "Correcting density-driven errors in projection-based embedding",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20170228-160004168",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.4974929",
    volume = "146"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20170125-130016983,
    title = "Enhancing Cation Diffusion and Suppressing Anion Diffusion via Lewis-Acidic Polymer Electrolytes",
    journal = "Journal of Physical Chemistry Letters",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20170125-130016983",
    id = "record",
    issn = "1948-7185",
    doi = "10.1021/acs.jpclett.6b02662",
    volume = "8"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20161024-085559620,
    title = "Equilibrium Clumped-Isotope Effects in Doubly Substituted Isotopologues of Ethane",
    journal = "Geochimica et Cosmochimica Acta",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20161024-085559620",
    id = "record",
    issn = "0016-7037",
    doi = "10.1016/j.gca.2016.10.001",
    volume = "197"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20170103-123222046,
    title = "Fock-Matrix Corrections in Density Functional Theory and Use in Embedded Mean-Field Theory",
    journal = "Journal of Chemical Theory and Computation",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20170103-123222046",
    id = "record",
    issn = "1549-9618",
    doi = "10.1021/acs.jctc.6b00685",
    volume = "12"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20161012-074954825,
    title = "Kinetically-constrained ring-polymer molecular dynamics for non-adiabatic chemistries involving solvent and donor–acceptor dynamical effects",
    journal = "Faraday Discussions",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20161012-074954825",
    id = "record",
    issn = "1359-6640",
    doi = "10.1039/C6FD00143B",
    volume = "195"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20161212-112616599,
    title = "Non-equilibrium dynamics from RPMD and CMD",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20161212-112616599",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.4967958",
    volume = "145"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20160907-091836417,
    title = "Molecular Seesaw: How Increased Hydrogen Bonding Can Hinder Excited-State Proton Transfer",
    journal = "Journal of Physical Chemistry Letters",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20160907-091836417",
    id = "record",
    issn = "1948-7185",
    doi = "10.1021/acs.jpclett.6b01391",
    volume = "7"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20160822-125634395,
    title = "Breaking the Correlation between Energy Costs and Kinetic Barriers in Hydrogen Evolution via a Cobalt Pyridine-Diimine-Dioxime Catalyst",
    journal = "ACS Catalysis",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20160822-125634395",
    id = "record",
    issn = "2155-5435",
    doi = "10.1021/acscatal.6b01387",
    volume = "6"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20160816-075308782,
    title = "A Link between Integral Membrane Protein Expression and Simulated Integration Efficiency",
    journal = "Cell Reports",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20160816-075308782",
    id = "record",
    issn = "2211-1247",
    doi = "10.1016/j.celrep.2016.07.042",
    volume = "16",
    pmcid = "PMC5001948"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20160831-130326773,
    title = "Universal Relationship between Conductivity and Solvation-Site Connectivity in Ether-Based Polymer Electrolytes",
    journal = "Macromolecules",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20160831-130326773",
    id = "record",
    issn = "0024-9297",
    doi = "10.1021/acs.macromol.6b00851",
    volume = "49"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20160607-073544202,
    title = "Coherent two-dimensional terahertz-terahertz-Raman spectroscopy",
    journal = "Proceedings of the National Academy of Sciences of the United States of America",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20160607-073544202",
    id = "record",
    issn = "0027-8424",
    doi = "10.1073/pnas.1605631113",
    volume = "113",
    pmcid = "PMC4922159"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20160624-153416230,
    title = "Effect of monomer structure on ionic conductivity in a systematic set of polyester electrolytes",
    journal = "Solid State Ionics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20160624-153416230",
    id = "record",
    issn = "0167-2738",
    doi = "10.1016/j.ssi.2016.02.020",
    volume = "289"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20160606-080929408,
    title = "Inversion of Signal Sequence Topology during Membrane Integration",
    journal = "Biophysical Journal",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20160606-080929408",
    id = "record",
    issn = "0006-3495",
    doi = "10.1016/j.bpj.2015.11.1252",
    volume = "110"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20160603-155356794,
    title = "Coarse-Grained Modeling of Membrane Protein Integration via the Sec Translocon",
    journal = "Biophysical Journal",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20160603-155356794",
    id = "record",
    issn = "0006-3495",
    doi = "10.1016/j.bpj.2015.11.371",
    volume = "110"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20160606-083845463,
    title = "Statistical Mechanical Framework for Predicting Cellular Responses from Single-Cell Data",
    journal = "Biophysical Journal",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20160606-083845463",
    id = "record",
    issn = "0006-3495",
    doi = "10.1016/j.bpj.2015.11.1883",
    volume = "110"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20160603-152457146,
    title = "Regulation of Sec-Facilitated Protein Translocation and Membrane Integration",
    journal = "Biophysical Journal",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20160603-152457146",
    id = "record",
    issn = "0006-3495",
    doi = "10.1016/j.bpj.2015.11.062",
    volume = "110"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20160603-155727136,
    title = "Determinants of Multispanning Membrane Protein Integration Mediated by the Sec Translocon",
    journal = "Biophysical Journal",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20160603-155727136",
    id = "record",
    issn = "0006-3495",
    doi = "10.1016/j.bpj.2015.11.372",
    volume = "110"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20151012-133008507,
    title = "Tipping the Balance between Concerted versus Sequential Proton-Coupled Electron Transfer",
    journal = "Inorganic Chemistry",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20151012-133008507",
    id = "record",
    issn = "0020-1669",
    doi = "10.1021/acs.inorgchem.5b01821",
    volume = "55"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20150617-074052855,
    title = "Electronic coherence and the kinetics of inter-complex energy transfer in light-harvesting systems",
    journal = "Physical Chemistry Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20150617-074052855",
    id = "record",
    issn = "1463-9076",
    doi = "10.1039/c5cp02517f",
    volume = "17"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20150929-202516731,
    title = "Chemically Specific Dynamic Bond Percolation Model for Ion Transport in Polymer Electrolytes",
    journal = "Macromolecules",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20150929-202516731",
    id = "record",
    issn = "0024-9297",
    doi = "10.1021/acs.macromol.5b01437",
    volume = "48"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20151005-084445767,
    title = "Regulation of multispanning membrane protein topology via post-translational annealing",
    journal = "eLife",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20151005-084445767",
    id = "record",
    issn = "2050-084X",
    doi = "10.7554/eLife.08697",
    volume = "4",
    pmcid = "PMC4635508"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20151001-125508842,
    title = "Nuclear Quantum Effects in the Layering and Diffusion of Hydrogen Isotopes in Carbon Nanotubes",
    journal = "Journal of Physical Chemistry Letters",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20151001-125508842",
    id = "record",
    issn = "1948-7185",
    doi = "10.1021/acs.jpclett.5b01545",
    volume = "6"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20150724-073254175,
    title = "Systematic Computational and Experimental Investigation of Lithium-Ion Transport Mechanisms in Polyester-Based Polymer Electrolytes",
    journal = "ACS Central Science",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20150724-073254175",
    id = "record",
    issn = "2374-7943",
    doi = "10.1021/acscentsci.5b00195",
    volume = "1",
    pmcid = "PMC4827473"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20150720-080707412,
    title = "Accelerating wavefunction in density-functional-theory embedding by truncating the active basis set",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20150720-080707412",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.4923367",
    volume = "143"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20150407-132132414,
    title = "New approaches to simulating biological and molecular catalysts",
    journal = "Abstracts of Papers of the American Chemical Society",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20150407-132132414",
    id = "record",
    issn = "0065-7727",
    volume = "249"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20150422-145236274,
    title = "Wavefunction embedding methods for the study of renewable energy catalysis",
    journal = "Abstracts of Papers of the American Chemical Society",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20150422-145236274",
    id = "record",
    issn = "0065-7727",
    volume = "249"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20150422-141500296,
    title = "Ab initio characterization of the electrochemical stability and solvation properties of condensed-phase ethylene carbonate and dimethyl carbonate mixtures",
    journal = "Abstracts of Papers of the American Chemical Society",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20150422-141500296",
    id = "record",
    issn = "0065-7727",
    volume = "249"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20150202-101927300,
    title = "Ab Initio Characterization of the Electrochemical Stability and Solvation Properties of Condensed-Phase Ethylene Carbonate and Dimethyl Carbonate Mixtures",
    journal = "Journal of Physical Chemistry C",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20150202-101927300",
    id = "record",
    issn = "1932-7447",
    doi = "10.1021/jp510882g",
    volume = "119"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20150202-095906885,
    title = "Embedded Mean-Field Theory",
    journal = "Journal of Chemical Theory and Computation",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20150202-095906885",
    id = "record",
    issn = "1549-9626",
    doi = "10.1021/ct5011032",
    volume = "11"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20151106-081208446,
    title = "Coarse-Grained Modeling of Minute-Timescale Co-Translational Membrane Protein Integration via the Sec-Translocon",
    journal = "Biophysical Journal",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20151106-081208446",
    id = "record",
    issn = "0006-3495",
    doi = "10.1016/j.bpj.2014.11.2743",
    volume = "108"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20140929-091520017,
    title = "Allosteric response and substrate sensitivity in peptide binding of the signal recognition particle",
    journal = "Journal of Biological Chemistry",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20140929-091520017",
    id = "record",
    issn = "0021-9258",
    doi = "10.1074/jbc.M114.584912",
    volume = "289",
    pmcid = "PMC4215262"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20140401-104003729,
    title = "Accurate and systematically improvable density functional theory embedding for correlated wavefunctions",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20140401-104003729",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.4864040",
    volume = "140"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20140401-101133735,
    title = "Kinetically constrained ring-polymer molecular dynamics for non-adiabatic chemical reactions",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20140401-101133735",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.4863919",
    volume = "140"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20140113-090540183,
    title = "Position-Specific and Clumped Stable Isotope Studies: Comparison of the Urey and Path-Integral Approaches for Carbon Dioxide, Nitrous Oxide, Methane, and Propane",
    journal = "Journal of Physical Chemistry A",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20140113-090540183",
    id = "record",
    issn = "1089-5639",
    doi = "10.1021/jp411134v"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20131121-153219343,
    title = "Communication: Predictive partial linearized path integral simulation of condensed phase electron transfer dynamics",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20131121-153219343",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.4826163",
    volume = "139"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20130826-111810684,
    title = "Accurate basis set truncation for wavefunction embedding",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20130826-111810684",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.4811112",
    volume = "139"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20130603-112629415,
    title = "Direct simulation of proton-coupled electron transfer across multiple regimes",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20130603-112629415",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.4797462",
    volume = "138"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20130827-153007523,
    title = "Ring-Polymer Molecular Dynamics: Quantum Effects in Chemical Dynamics from Classical Trajectories in an Extended Phase Space",
    journal = "Annual Review of Physical Chemistry",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20130827-153007523",
    id = "record",
    issn = "0066-426X",
    doi = "10.1146/annurev-physchem-040412-110122",
    volume = "64"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20130410-103426798,
    title = "Long-Range Proton-Coupled Electron-Transfer Reactions of Bis(imidazole) Iron Tetraphenylporphyrins Linked to Benzoates",
    journal = "Journal of Physical Chemistry Letters",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20130410-103426798",
    id = "record",
    issn = "1948-7185",
    doi = "10.1021/jz400029w",
    volume = "4",
    pmcid = "PMC3593309"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20130205-103133136,
    title = "Suppression of Dendrite Formation via Pulse Charging in Rechargeable Lithium Metal Batteries",
    journal = "Journal of Physical Chemistry C",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20130205-103133136",
    id = "record",
    issn = "1932-7447",
    doi = "10.1021/jp309321w",
    volume = "116"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20130123-093712451,
    title = "Density functional theory embedding for correlated wavefunctions: Improved methods for open-shell systems and transition metal complexes",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20130123-093712451",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.4770226",
    volume = "137"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20121018-141631261,
    title = "Long-Timescale Dynamics and Regulation of Sec-Facilitated Protein Translocation",
    journal = "Cell Reports",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20121018-141631261",
    id = "record",
    issn = "2211-1247",
    doi = "10.1016/j.celrep.2012.08.039",
    volume = "2",
    pmcid = "PMC3483636"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20121031-134552173,
    title = "Direct Simulation of Early-Stage Sec-Facilitated Protein Translocation",
    journal = "Journal of the American Chemical Society",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20121031-134552173",
    id = "record",
    issn = "0002-7863",
    doi = "10.1021/ja3034526",
    volume = "134",
    pmcid = "PMC3431202"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20121018-135034166,
    title = "Simple, Exact Density-Functional-Theory Embedding Scheme",
    journal = "Journal of Chemical Theory and Computation",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20121018-135034166",
    id = "record",
    issn = "1549-9626",
    doi = "10.1021/ct300544e",
    volume = "8"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20120824-152508878,
    title = "In Silico Screening of Computational Enzyme Designs",
    journal = "Protein Science",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20120824-152508878",
    id = "record",
    issn = "0961-8368",
    volume = "21"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20120627-114459530,
    title = "Flux-correlation approach to characterizing reaction pathways in quantum systems: a study of condensed-phase proton-coupled electron transfer",
    journal = "Molecular Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20120627-114459530",
    id = "record",
    issn = "0026-8976",
    doi = "10.1080/00268976.2012.686641",
    volume = "110"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20111018-111346185,
    title = "Dynamics and dissipation in enzyme catalysis",
    journal = "Proceedings of the National Academy of Sciences of the United States of America",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20111018-111346185",
    id = "record",
    issn = "0027-8424",
    doi = "10.1073/pnas.1106397108",
    volume = "108",
    pmcid = "PMC3182692"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20110909-122016964,
    title = "Direct simulation of electron transfer using ring polymer molecular dynamics: Comparison with semiclassical instanton theory and exact quantum methods",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20110909-122016964",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.3624766",
    volume = "135"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20110525-151024690,
    title = "Embedded density functional theory for covalently bonded and strongly interacting subsystems",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20110525-151024690",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.3582913",
    volume = "134"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20110201-140605973,
    title = "Exact quantum statistics for electronically nonadiabatic systems using continuous path variables",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20110201-140605973",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.3511700",
    volume = "133"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20101011-131128803,
    title = "Exact nonadditive kinetic potentials for embedded density functional theory",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20101011-131128803",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.3474575",
    volume = "133"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20100709-093839488,
    title = "The Mechanical Properties of PCNA: Implications for the Loading and Function of a DNA Sliding Clamp",
    journal = "Biophysical Journal",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20100709-093839488",
    id = "record",
    issn = "0006-3495",
    doi = "10.1016/j.bpj.2010.03.056",
    volume = "98"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20100412-111115657,
    title = "Hydrophobically stabilized open state for the lateral gate of the Sec translocon",
    journal = "Proceedings of the National Academy of Sciences of the United States of America",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20100412-111115657",
    id = "record",
    issn = "0027-8424",
    doi = "10.1073/pnas.0914752107",
    volume = "107",
    pmcid = "PMC2851780"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20100216-110544016,
    title = "Ring polymer molecular dynamics beyond the linear response regime: Excess electron injection and trapping in liquids",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20100216-110544016",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.3292576",
    volume = "132"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:MILjcp08,
    title = "Isomorphic classical molecular dynamics model for an excess electron in a supercritical fluid",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:MILjcp08",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.3013357",
    volume = "129"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:MILpnas07,
    title = "Solvent coarse-graining and the string method applied to the hydrophobic collapse of a hydrated chain",
    journal = "Proceedings of the National Academy of Sciences of the United States of America",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:MILpnas07",
    id = "record",
    issn = "0027-8424",
    doi = "10.1073/pnas.0705830104",
    volume = "104",
    pmcid = "PMC1955457"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:MILjcp07,
    title = "Sampling diffusive transition paths",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:MILjcp07",
    id = "record",
    issn = "0021-9606",
    doi = "10.1103/10.1063/1.2712444",
    volume = "126"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:MILjcp05b,
    title = "Quantum diffusion in liquid water from ring polymer molecular dynamics",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:MILjcp05b",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.2074967",
    volume = "123"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:MILjcp05c,
    title = "Collision-induced conformational changes in glycine",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:MILjcp05c",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.1927527",
    volume = "122"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:MILmp05,
    title = "Torsional anharmonicity in the conformational thermodynamics of flexible molecules",
    journal = "Molecular Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:MILmp05",
    id = "record",
    issn = "0026-8976",
    doi = "10.1080/00268970500096145",
    volume = "103"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:MILjcp05d,
    title = "Quantum diffusion in liquid para-hydrogen from ring-polymer molecular dynamics",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:MILjcp05d",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.1893956",
    volume = "122"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:MILjcp05a,
    title = {Comment on "A centroid molecular dynamics study of liquid para hydrogen and ortho deuterium" [J. Chem. Phys. 121, 6412 (2004)]},
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:MILjcp05a",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.1839867",
    volume = "122"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:MILpccp04,
    title = "Quantum free energies of the conformers of glycine on an ab initio potential energy surface",
    journal = "Physical Chemistry Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:MILpccp04",
    id = "record",
    issn = "1463-9076",
    doi = "10.1039/b314644h",
    volume = "6"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:NANjcp04,
    title = "Army ants algorithm for rare event sampling of delocalized nonadiabatic transitions by trajectory surface hopping and the estimation of sampling errors by the bootstrap method",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:NANjcp04",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.1641019",
    volume = "120"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:MILjcp03,
    title = "Torsional path integral Monte Carlo method for calculating the absolute quantum free energy of large molecules",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:MILjcp03",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.1568727",
    volume = "119"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:MILjcp02b,
    title = "Symplectic quaternion scheme for biophysical molecular dynamics",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:MILjcp02b",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.1473654",
    volume = "116"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:MILjcp02a,
    title = "Torsional path integral Monte Carlo method for the quantum simulation of large molecules",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:MILjcp02a",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.1467342",
    volume = "116"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:MILjcp01,
    title = "Excitation of the symmetry forbidden bending mode in molecular photoionization",
    journal = "Journal of Chemical Physics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:MILjcp01",
    id = "record",
    issn = "0021-9606",
    doi = "10.1063/1.1349090",
    volume = "114"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20130301-152550052,
    title = "Structural and bonding trends in platinum-carbon clusters",
    journal = "Journal of the American Chemical Society",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20130301-152550052",
    id = "record",
    issn = "0002-7863",
    doi = "10.1021/ja990854n",
    volume = "121"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20130301-153738878,
    title = "Linear Semibridging Carbonyls. 6. Structure and Bonding in the Dimers of 17-Electron Tantalum Hexacarbonyl and Tetracarbonyl Diphosphine",
    journal = "Organometallics",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20130301-153738878",
    id = "record",
    issn = "0276-7333",
    doi = "10.1021/om980144a",
    volume = "17"
}


@article{https://resolver.caltech.edu/CaltechAUTHORS:20130301-153144543,
    title = "Structure and Stability of Palladium−Carbon Cations",
    journal = "Journal of Physical Chemistry A",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20130301-153144543",
    id = "record",
    issn = "1089-5639",
    doi = "10.1021/jp980640c",
    volume = "102"
}