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Kun Yao

Schrodinger inc.

28H指数
119论文数
5.2K被引数
收录论文 33
发表时间
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Infrared Nanoimaging of Hydrogenated Perovskite Nickelate Memristive Devices
err2024-01-10
err5
errOAAI
errGamage, Sampath; Manna, Sukriti; Zajac, Marc; Hancock, Steven; Wang, Qi; Singh, Sarabpreet; Ghafariasl, Mahdi; Yao, Kun; Tiwald, Tom E.; Park, Tae Joon; Landau, David P.; Wen, Haidan; Sankaranarayanan, Subramanian K. R. S.; Darancet, Pierre; Ramanathan, Shriram; Abate, Yohannes
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Epik: pKa and Protonation State Prediction through Machine Learning
err2023-04-06
err91
PREAI
errJohnston, Ryne C.; Yao, Kun; Kaplan, Zachary; Chelliah, Monica; Leswing, Karl; Seekins, Sean; Watts, Shawn; Calkins, David; Elk, Jackson Chief; Jerome, Steven, V; Repasky, Matthew P.; Shelley, John C.
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Progress in Hybridization of Covalent Organic Frameworks and Metal-Organic Frameworks共价有机框架和金属有机框架的杂交研究进展
errSMALL
IF12.1
err2022-08-19
err62
PREAI
errDeng, Yang; Wang, Yue; Xiao, Xiao; Saucedo, Brett Jacob; Zhu, Zhijun; Xie, Mingsen; Xu, Xinru; Yao, Kun; Zhai, Yanling; Zhang, Zhen; Chen, Jun
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Design and Experiment of a Garlic Orientation and Orderly Conveying Device Based on Machine Vision
err2022-07-22
err1
errOAAI
errChen, Jianneng; Yu, Chennan; Yao, Kun; Zhou, Yun; Zhou, Binsong
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Resveratrol protected acrolein-induced ferroptosis and insulin secretion dysfunction via ER-stress- related PERK pathway in MIN6 cells白藜芦醇通过雌激素应激相关PERK途径保护丙烯醛诱导的MIN6细胞铁死亡和胰岛素分泌功能障碍
err2022-01-01
err67
PREAI
errZhang, Xinhao; Jiang, Liping; Chen, Huangben; Wei, Sen; Yao, Kun; Sun, Xiance; Yang, Guang; Jiang, Lijie; Zhang, Cong; Wang, Ningning; Wang, Yan; Liu, Xiaofang
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Efficient Exploration of Chemical Space with Docking and Deep Learning
err2021-09-30
err158
PREAI
errYang, Ying; Yao, Kun; Repasky, Matthew P.; Leswing, Karl; Abel, Robert; Shoichet, Brian K.; Jerome, Steven, V
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Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package量子化学前沿软件: q-chem 5软件包的发展概述
err2021-08-23
err743
errOAAI
errEpifanovsky, 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
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Photocatalytic Performance of the MOF-Coating Layer on SPR-Excited Ag Nanowires
err2021-01-19
err20
errOAAI
errChen, Xi; Zhang, Yanshuang; Kong, Xiangyun; Yao, Kun; Liu, Lingzhi; Zhang, Jiali; Guo, Zanru; Xu, Wenyuan; Fang, Zhili; Liu, Yongxin
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Brain-on-a-Chip Device for Modeling Multiregional Networks
err2020-12-15
err14
PREAI
errNdyabawe, Kenneth; Cipriano, Michael; Zhao, Wujun; Haidekker, Mark; Yao, Kun; Mao, Leidong; Kisaalita, William S.
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Machine Learning for Vibrational Spectroscopic Maps
err2019-10-15
err58
PREAI
errKananenka, Alexei A.; Yao, Kun; Corcelli, Steven A.; Skinner, J. L.
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On the border between localization and delocalization: tris(iminoxolene)titanium(iv)
err2019-01-01
err14
PREAI
errMarshall-Roth, Travis; Yao, Kun; Parkhill, John A.; Brown, Seth N.
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The TensorMol-0.1 model chemistry: a neural network augmented with long-range physics
err2018-01-01
err371
errOAAI
errYao, Kun; Herr, John E.; Toth, David W.; Mckintyre, Ryker; Parkhill, John
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Characterization and secondary sludge dewatering performance of a novel combined aluminum-ferrous-starch flocculant (CAFS)新型铝-铁-淀粉复合絮凝剂 (CAFS) 的表征及二次污泥脱水性能
err2017-12-01
err51
PREAI
errPeng, Huanlong; Zhong, Songxiong; Xiang, Jiangxin; Lin, Qintie; Yao, Chuang; Dong, Jiahua; Yin, Guangcai; Yao, Kun; Zeng, Siyuan; Zhong, Jie
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The many-body expansion combined with neural networks
err2017-01-04
err106
errOAAI
errYao, Kun; Herr, John E.; Parkhill, John
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