@article{https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/f2633-2ty54,
    authors = "Gu, Geun Ho and Lim, Juhyung and Wan, Chengzhang and Cheng, Tao and Pu, Heting and Kim, Sungwon and Noh, Juhwan and Choi, Changhyeok and Kim, Juhwan and Goddard, William A., III and Duan, Xiangfeng and Jung, Yousung",
    title = "Autobifunctional Mechanism of Jagged Pt Nanowires for Hydrogen Evolution Kinetics via End-to-End Simulation",
    journal = "Journal of the American Chemical Society",
    publisher = "American Chemical Society",
    year = "2021",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20210318-120121922",
    id = "https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/f2633-2ty54",
    issn = "0002-7863",
    doi = "10.1021/jacs.0c11261",
    volume = "143",
    number = "14",
    pages = "5355-5363"
}


@article{https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/hqzre-dpm46,
    authors = "Noh, Juhwan and Kim, Sungwon and Gu, Geun ho and Shinde, Aniketa and Zhou, Lan and Gregoire, John M. and Jung, Yousung",
    title = "Unveiling new stable manganese based photoanode materials via theoretical high-throughput screening and experiments",
    journal = "Chemical Communications",
    publisher = "Royal Society of Chemistry",
    year = "2019",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20191023-085621884",
    id = "https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/hqzre-dpm46",
    issn = "1359-7345",
    doi = "10.1039/c9cc06736a",
    volume = "55",
    number = "89",
    pages = "13418-13421"
}


@article{https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/mzy8d-gv324,
    authors = "Noh, Juhwan and Kim, Jaehoon and Stein, Helge S. and Sanchez-Lengeling, Benjamin and Gregoire, John M. and Aspuru-Guzik, Alán and Jung, Yousung",
    title = "Inverse Design of Solid-State Materials via a Continuous Representation",
    journal = "Matter",
    publisher = "Elsevier",
    year = "2019",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20191002-094950933",
    id = "https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/mzy8d-gv324",
    issn = "2590-2385",
    doi = "10.1016/j.matt.2019.08.017",
    volume = "1",
    number = "5",
    pages = "1370-1384"
}


@article{https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/w1szc-jrd75,
    authors = "Kim, In and Pascal, Tod A. and Park, Seong-Jik and Diallo, Mamadou and Goddard III, William A. and Jung, Yousung",
    title = "pH-Dependent Conformations for Hyperbranched Poly(ethylenimine) from All-Atom Molecular Dynamics",
    journal = "Macromolecules",
    publisher = "American Chemical Society",
    year = "2018",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20180418-103623373",
    id = "https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/w1szc-jrd75",
    issn = "0024-9297",
    doi = "10.1021/acs.macromol.7b02573",
    volume = "51",
    number = "6",
    pages = "2187-2194"
}


@article{https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/71ybw-z7t26,
    authors = "Kwac, Kijeong and Kim, In and Pascal, Tod A. and Goddard, William A., III and Park, Hyung Gyu and Jung, Yousung",
    title = "Multilayer Two-Dimensional Water Structure Confined in MoS\_2",
    journal = "Journal of Physical Chemistry C",
    publisher = "American Chemical Society",
    year = "2017",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20170706-103012655",
    id = "https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/71ybw-z7t26",
    issn = "1932-7447",
    doi = "10.1021/acs.jpcc.7b05153",
    volume = "121",
    number = "29",
    pages = "16021-16028"
}


@article{https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/c901y-r9a12,
    authors = "Shao, Yihan and Gan, Zhengting and Epifanovsky, Evgeny and Gilbert, Andrew T. B. and Wormit, Michael and Kussmann, Joerg and Lange, Adrian W. and Behn, Andrew and Deng, Jia and Feng, Xintian and Ghosh, Debashree and Goldey, Matthew and Horn, Paul R. and Jacobson, Leif D. and Kaliman, Ilya and Khaliullin, Rustam Z. and Kuś, Tomasz and Landau, Arie and Liu, Jie and Proynov, Emil I. and Rhee, Young Min and Richard, Ryan M. and Rohrdanz, Mary A. and Steele, Ryan P. and Sundstrom, Eric J. and Woodcock, H. Lee and Zimmerman, Paul M. and Zuev, Dmitry and Albrecht, Ben and Alguire, Ethan and Austin, Brian J. and Beran, Gregory J. O. and Bernard, Yves A. and Berquist, Eric and Brandhorst, Kai and Bravaya, Ksenia B. and Brown, Shawn T. and Casanova, David and Chang, Chun-Min and Chen, Yunqing and Chien, Siu Hung and Closser, Kristina D. and Crittenden, Deborah L. and Diedenhofen, Michael and DiStasio, Robert A. and Do, Hainam and Dutoi, Anthony D. and Edgar, Richard G. and Fatehi, Shervin and Fusti-Molnar, Laszlo and Ghysels, An and Golubeva-Zadorozhnaya, Anna and Gomes, Joseph and Hanson-Heine, Magnus W. D. and Harbach, Philipp H. P. and Hauser, Andreas W. and Hohenstein, Edward G. and Holden, Zachary C. and Jagau, Thomas-C. and Ji, Hyunjun and Kaduk, Benjamin and Khistyaev, Kirill and Kim, Jaehoon and Kim, Jihan and King, Rollin A. and Klunzinger, Phil and Kosenkov, Dmytro and Kowalczyk, Tim and Krauter, Caroline M. and Lao, Ka Un and Laurent, Adèle D. and Lawler, Keith V. and Levchenko, Sergey V. and Lin, Ching Yeh and Liu, Fenglai and Livshits, Ester and Lochan, Rohini C. and Luenser, Arne and Manohar, Prashant and Manzer, Samuel F. and Mao, Shan-Ping and Mardirossian, Narbe and Marenich, Aleksandr V. and Maurer, Simon A. and Mayhall, Nicholas J. and Neuscamman, Eric and Oana, C. Melania and Olivares-Amaya, Roberto and O'Neill, Darragh P. and Parkhill, John A. and Perrine, Trilisa M. and Peverati, Roberto and Prociuk, Alexander and Rehn, Dirk R. and Rosta, Edina and Russ, Nicholas J. and Sharada, Shaama M. and Sharma, Sandeep and Small, David W. and Sodt, Alexander and Stein, Tamar and Stück, David and Su, Yu-Chuan and Thom, Alex J. W. and Tsuchimochi, Takashi and Vanovschi, Vitalii and Vogt, Leslie and Vydrov, Oleg and Wang, Tao and Watson, Mark A. and Wenzel, Jan and White, Alec and Williams, Christopher F. and Yang, Jun and Yeganeh, Sina and Yost, Shane R. and You, Zhi-Qiang and Zhang, Igor Ying and Zhang, Xing and Zhao, Yan and Brooks, Bernard R. and Chan, Garnet K. L. and Chipman, Daniel M. and Cramer, Christopher J. and Goddard, William A. and Gordon, Mark S. and Hehre, Warren J. and Klamt, Andreas and Schaefer, Henry F. and Schmidt, Michael W. and Sherrill, C. David and Truhlar, Donald G. and Warshel, Arieh and Xu, Xin and Aspuru-Guzik, Alán and Baer, Roi and Bell, Alexis T. and Besley, Nicholas A. and Chai, Jeng-Da and Dreuw, Andreas and Dunietz, Barry D. and Furlani, Thomas R. and Gwaltney, Steven R. and Hsu, Chao-Ping and Jung, Yousung and Kong, Jing and Lambrecht, Daniel S. and Liang, WanZhen and Ochsenfeld, Christian and Rassolov, Vitaly A. and Slipchenko, Lyudmila V. and Subotnik, Joseph E. and Van Voorhis, Troy and Herbert, John M. and Krylov, Anna I. and Gill, Peter M.W. and Head-Gordon, Martin",
    title = "Advances in molecular quantum chemistry contained in the Q-Chem 4 program package",
    journal = "Molecular Physics",
    publisher = "Taylor \& Francis",
    year = "2015",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20170106-112949955",
    id = "https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/c901y-r9a12",
    issn = "0026-8976",
    doi = "10.1080/00268976.2014.952696",
    volume = "113",
    number = "2",
    pages = "184-215"
}


@article{https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/y7y9c-hfh17,
    authors = "Lim, Soo Yeon and Kim, Heejin and Chung, Jaehoon and Lee, Ji Hoon and Kim, Byung Gon and Choi, Jeon-Jin and Chung, Kyung Yoon and Cho, Woosuk and Kim, Seung-Joo and Goddard, William A., III and Jung, Yousung and Choi, Jang Wook",
    title = "Role of intermediate phase for stable cycling of
 Na\_7V\_4(P\_2O\_7)\_4PO\_4 in sodium ion battery",
    journal = "Proceedings of the National Academy of Sciences of the United States of America",
    publisher = "National Academy of Sciences",
    year = "2014",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20140214-094035679",
    id = "https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/y7y9c-hfh17",
    issn = "0027-8424",
    doi = "10.1073/pnas.1316557110",
    volume = "111",
    number = "2",
    pmcid = "PMC3896142",
    pages = "599-604"
}


@article{https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/jpsfw-ddv60,
    authors = "Ji, Hyunjun and Shao, Yihan and Goddard, William A. and Jung, Yousung",
    title = "Analytic Derivatives of Quartic-Scaling Doubly Hybrid XYGJ-OS 
 Functional: Theory, Implementation, and Benchmark Comparison
 with M06-2X and MP2 Geometries for Nonbonded Complexes",
    journal = "Journal of Chemical Theory and Computation",
    publisher = "American Chemical Society",
    year = "2013",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20130610-114028985",
    id = "https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/jpsfw-ddv60",
    issn = "1549-9618",
    doi = "10.1021/ct400050d",
    volume = "9",
    number = "4",
    pmcid = "PMC3650862",
    pages = "1971-1976"
}


@article{https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/30gyf-v4h22,
    authors = "Pascal, Tod A. and Schärf, Daniel and Jung, Yousung and Kühne, Thomas D.",
    title = "On the absolute thermodynamics of water from computer simulations: A comparison of first-principles molecular dynamics, reactive and empirical force fields",
    journal = "Journal of Chemical Physics",
    publisher = "American Institute of Physics",
    year = "2012",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20130131-095211301",
    id = "https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/30gyf-v4h22",
    issn = "0021-9606",
    doi = "10.1063/1.4771974",
    volume = "137",
    number = "24",
    pages = "Art. No. 244507"
}


@article{https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/31wad-mp480,
    authors = "Pascal, Tod A. and Lin, Shiang-Tai and Goddard, William A., III and Jung, Yousung",
    title = "Stability of Positively Charged Solutes in Water: A Transition from Hydrophobic to Hydrophilic",
    journal = "Journal of Physical Chemistry Letters",
    publisher = "American Chemical Society",
    year = "2012",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20120302-121800764",
    id = "https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/31wad-mp480",
    issn = "1948-7185",
    doi = "10.1021/jz201612y",
    volume = "3",
    number = "3",
    pages = "294-298"
}


@article{https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/e4heb-ycf80,
    authors = "Zhang, Igor Ying and Xu, Xin and Jung, Yousung and Goddard, William A., III",
    title = "A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz",
    journal = "Proceedings of the National Academy of Sciences of the United States of America",
    publisher = "National Academy of Sciences",
    year = "2011",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20120105-121854116",
    id = "https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/e4heb-ycf80",
    issn = "0027-8424",
    doi = "10.1073/pnas.1115123108",
    volume = "108",
    number = "50",
    pmcid = "PMC3250148",
    pages = "19896-19900"
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@article{https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/qg421-cek44,
    authors = "Pascal, Tod A. and Goddard, William A., III and Jung, Yousung",
    title = "Entropy and the driving force for the filling of carbon nanotubes with water",
    journal = "Proceedings of the National Academy of Sciences of the United States of America",
    publisher = "National Academy of Sciences",
    year = "2011",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20110803-120608933",
    id = "https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/qg421-cek44",
    issn = "0027-8424",
    doi = "10.1073/pnas.1108073108",
    volume = "108",
    number = "29",
    pmcid = "PMC3141970",
    pages = "11794-11798"
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@article{https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/0d6mh-7ak67,
    authors = "Wang, Yanting and Hodas, Nathan O. and Jung, Yousung and Marcus, R. A.",
    title = "Microscopic structure and dynamics of air/water interface by computer simulations-comparison with sum-frequency generation experiments",
    journal = "Physical Chemistry Chemical Physics",
    publisher = "Royal Society of Chemistry",
    year = "2011",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20110330-082835207",
    id = "https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/0d6mh-7ak67",
    issn = "1463-9076",
    doi = "10.1039/c0cp02745f",
    volume = "13",
    number = "12",
    pages = "5388-5393"
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@article{https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/0tfcn-f0c43,
    authors = "Jung, Yousung and Marcus, R. A.",
    title = "Protruding interfacial OH groups and 'on-water' heterogeneous catalysis",
    journal = "Journal of Physics: Condensed Matter",
    publisher = "IOP",
    year = "2010",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20100720-084322628",
    id = "https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/0tfcn-f0c43",
    issn = "0953-8984",
    doi = "10.1088/0953-8984/22/28/284117",
    volume = "22",
    number = "28",
    pages = "Art. No. 284117"
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    authors = "Kurlancheek, Westin and Jung, Yousung and Head-Gordon, Martin",
    title = "Effects of ligands and spin-polarization on the preferred conformation of distannynes",
    journal = "Dalton Transactions",
    publisher = "Royal Society of Chemistry",
    year = "2008",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:KURdt08",
    id = "https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/tf31d-tsz64",
    issn = "1477-9226",
    doi = "10.1039/b803417f",
    volume = "2008",
    number = "33",
    pages = "4428-4435"
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@article{https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/va9pg-3jc17,
    authors = "Jung, Yousung and Marcus, R. A.",
    title = {On the theory of organic catalysis "on water"},
    journal = "Journal of the American Chemical Society",
    publisher = "American Chemical Society",
    year = "2007",
    url = "https://resolver.caltech.edu/CaltechAUTHORS:20150317-095444811",
    id = "https://authors.library.caltech.eduhttps://authors.library.caltech.edu/records/va9pg-3jc17",
    issn = "0002-7863",
    doi = "10.1021/ja068120f",
    volume = "129",
    number = "17",
    pages = "5492-5502"
}