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| NO | Title, Author(s) (Publication Title, Volume Issue, Page, Issue Date) |
|---|---|
Machine-enabled inverse design of inorganic solid materials: promises and challenges Noh, Juhwan; Gu, Geun Ho; Kim, Sungwon; Jung, Yousung, CHEMICAL SCIENCE, v.11, no.19, pp.4871 - 4881, 2020-05 | |
| Predicting potentially hazardous chemical reactions using an explainable neural network Kim, Juhwan; Gu, Geun Ho; Noh, Juhwan; Kim, Seongun; Gim, Suji; Choi, Jaesik; Jung, Yousung, CHEMICAL SCIENCE, v.12, no.33, pp.11028 - 11037, 2021-09 | |
| Understanding potential-dependent competition between electrocatalytic dinitrogen and proton reduction reactions Choi, Changhyeok; Gu, Geun Ho; Noh, Juhwan; Park, Hyun S.; Jung, Yousung, NATURE COMMUNICATIONS, v.12, no.1, pp.4353, 2021-07 | |
| Shifting the scaling relations of single-atom catalysts for facile methane activation by tuning the coordination number Choi, Changhyeok; Yoon, Sungho; Jung, Yousung, CHEMICAL SCIENCE, v.12, no.10, pp.3551 - 3557, 2021-03 | |
| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package Epifanovsky, Evgeny; Gilbert, Andrew T. B.; Feng, Xintian; Lee, Joonho; Mao, Yuezhi; Mardirossian, Narbe; Pokhilko, Pavel; White, Alec F.; Coons, Marc P.; Dempwolff, Adrian L.; Gan, Zhengting; Hait, Diptarka; Horn, Paul R.; Jacobson, Leif D.; Kaliman, Ilya; Kussmann, Jorg; Lange, Adrian W.; Lao, Ka Un; Levine, Daniel S.; Liu, Jie; McKenzie, Simon C.; Morrison, Adrian F.; Nanda, Kaushik D.; Plasser, Felix; Rehn, Dirk R.; Vidal, Marta L.; You, Zhi-Qiang; Zhu, Ying; Alam, Bushra; Albrecht, Benjamin J.; Aldossary, Abdulrahman; Alguire, Ethan; Andersen, Josefine H.; Athavale, Vishikh; Barton, Dennis; Begam, Khadiza; Behn, Andrew; Bellonzi, Nicole; Bernard, Yves A.; Berquist, Eric J.; Burton, Hugh G. A.; Carreras, Abel; Carter-Fenk, Kevin; Chakraborty, Romit; Chien, Alan D.; Closser, Kristina D.; Cofer-Shabica, Vale; Dasgupta, Saswata; de Wergifosse, Marc; Deng, Jia; Diedenhofen, Michael; Do, Hainam; Ehlert, Sebastian; Fang, Po-Tung; Fatehi, Shervin; Feng, Qingguo; Friedhoff, Triet; Gayvert, James; Ge, Qinghui; Gidofalvi, Gergely; Goldey, Matthew; Gomes, Joe; Gonzalez-Espinoza, Cristina E.; Gulania, Sahil; Gunina, Anastasia O.; Hanson-Heine, Magnus W. D.; Harbach, Phillip H. P.; Hauser, Andreas; Herbst, Michael F.; Vera, Mario Hernandez; Hodecker, Manuel; Holden, Zachary C.; Houck, Shannon; Huang, Xunkun; Hui, Kerwin; Huynh, Bang C.; Ivanov, Maxim; Jasz, Adam; Ji, Hyunjun; Jiang, Hanjie; Kaduk, Benjamin; Kaehler, Sven; Khistyaev, Kirill; Kim, Jaehoon; Kis, Gergely; Klunzinger, Phil; Koczor-Benda, Zsuzsanna; Koh, Joong Hoon; Kosenkov, Dimitri; Koulias, Laura; Kowalczyk, Tim; Krauter, Caroline M.; Kue, Karl; Kunitsa, Alexander; Kus, Thomas; Ladjanszki, Istvan; Landau, Arie; Lawler, Keith, V; Lefrancois, Daniel; Lehtola, Susi; Li, Run R.; Li, Yi-Pei; Liang, Jiashu; Liebenthal, Marcus; Lin, Hung-Hsuan; Lin, You-Sheng; Liu, Fenglai; Liu, Kuan-Yu; Loipersberger, Matthias; Luenser, Arne; Manjanath, Aaditya; Manohar, Prashant; Mansoor, Erum; Manzer, Sam F.; Mao, Shan-Ping; Marenich, Aleksandr, V; Markovich, Thomas; Mason, Stephen; Maurer, Simon A.; McLaughlin, Peter F.; Menger, Maximilian F. S. J.; Mewes, Jan-Michael; Mewes, Stefanie A.; Morgante, Pierpaolo; Mullinax, J. Wayne; Oosterbaan, Katherine J.; Paran, Garrette; Paul, Alexander C.; Paul, Suranjan K.; Pavosevic, Fabijan; Pei, Zheng; Prager, Stefan; Proynov, Emil, I; Rak, Adam; Ramos-Cordoba, Eloy; Rana, Bhaskar; Rask, Alan E.; Rettig, Adam; Richard, Ryan M.; Rob, Fazle; Rossomme, Elliot; Scheele, Tarek; Scheurer, Maximilian; Schneider, Matthias; Sergueev, Nickolai; Sharada, Shaama M.; Skomorowski, Wojciech; Small, David W.; Stein, Christopher J.; Su, Yu-Chuan; Sundstrom, Eric J.; Tao, Zhen; Thirman, Jonathan; Tornai, Gabor J.; Tsuchimochi, Takashi; Tubman, Norm M.; Veccham, Srimukh Prasad; Vydrov, Oleg; Wenzel, Jan; Witte, Jon; Yamada, Atsushi; Yao, Kun; Yeganeh, Sina; Yost, Shane R.; Zech, Alexander; Zhang, Igor Ying; Zhang, Xing; Zhang, Yu; Zuev, Dmitry; Aspuru-Guzik, Alan; Bell, Alexis T.; Besley, Nicholas A.; Bravaya, Ksenia B.; Brooks, Bernard R.; Casanova, David; Chai, Jeng-Da; Coriani, Sonia; Cramer, Christopher J.; Cserey, Gyorgy; DePrince, A. Eugene, III; DiStasio, Robert A., Jr.; Dreuw, Andreas; Dunietz, Barry D.; Furlani, Thomas R.; Goddard, William A., III; Hammes-Schiffer, Sharon; Head-Gordon, Teresa; Hehre, Warren J.; Hsu, Chao-Ping; Jagau, Thomas-C; Jung, Yousung; Klamt, Andreas; Kong, Jing; Lambrecht, Daniel S.; Liang, WanZhen; Mayhall, Nicholas J.; McCurdy, C. William; Neaton, Jeffrey B.; Ochsenfeld, Christian; Parkhill, John A.; Peverati, Roberto; Rassolov, Vitaly A.; Shao, Yihan; Slipchenko, Lyudmila, V; Stauch, Tim; Steele, Ryan P.; Subotnik, Joseph E.; Thom, Alex J. W.; Tkatchenko, Alexandre; Truhlar, Donald G.; Van Voorhis, Troy; Wesolowski, Tomasz A.; Whaley, K. Birgitta; Woodcock, H. Lee, III; Zimmerman, Paul M.; Faraji, Shirin; Gill, Peter M. W.; Head-Gordon, Martin; Herbert, John M.; Krylov, Anna, I, JOURNAL OF CHEMICAL PHYSICS, v.155, no.8, 2021-08 | |
| Enhanced electrochemical CO2 reduction to ethylene over CuO by synergistically tuning oxygen vacancies and metal doping Jiang, Yiqiang; Choi, Changhyeok; Hong, Song; Chu, Senlin; Wu, Tai-Sing; Soo, Yun-Liang; Hao, Leiduan; Jung, Yousung; Sun, Zhenyu, CELL REPORTS PHYSICAL SCIENCE, v.2, no.3, 2021-03 | |
| Dopant-Assisted Control of the Crystallite Domain Size in Hollow Ternary Iridium Alloy Octahedral Nanocages toward the Oxygen Evolution Reaction Kwon, Taehyun; Jun, Minki; Bang, Gi Joo; Yang, Heesu; Joo, Jinwhan; Kim, Taekyung; Kim, Jun; Kim, Jong Min; Baik, Hionsuck; Jung, Yousung; Kim, Jin Young; Lee, Kwangyeol, CELL REPORTS PHYSICAL SCIENCE, v.1, no.12, pp.100260, 2020-12 | |
| Controlling hot electron flux and catalytic selectivity with nanoscale metal-oxide interfaces Lee, Si Woo; Kim, Jong Min; PARK, WOONGHYEON; Lee, Hyosun; Lee, Gyu Rac; Jung, Yousung; Jung, Yeon Sik; Park, Jeong Young, NATURE COMMUNICATIONS, v.12, no.1, pp.40, 2021-01 |