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Xiaowei Xie
Xiaowei Xie
Senior Scientist I, Schrödinger, Inc.
Подтвержден адрес электронной почты в домене schrodinger.com
Название
Процитировано
Процитировано
Год
Incorporating electronic information into machine learning potential energy surfaces via approaching the ground-state electronic energy as a function of atom-based electronic …
X Xie, KA Persson, DW Small
Journal of chemical theory and computation 16 (7), 4256-4270, 2020
672020
Copper (I)-catalyzed enantioselective addition of enynes to ketones
XF Wei, XW Xie, Y Shimizu, M Kanai
Journal of the American Chemical Society 139 (13), 4647-4650, 2017
642017
Toward a mechanistic model of solid–electrolyte interphase formation and evolution in lithium-ion batteries
EWC Spotte-Smith, RL Kam, D Barter, X Xie, T Hou, S Dwaraknath, ...
ACS Energy Letters 7 (4), 1446-1453, 2022
572022
A chemically consistent graph architecture for massive reaction networks applied to solid-electrolyte interphase formation
SM Blau, HD Patel, EWC Spotte-Smith, X Xie, S Dwaraknath, KA Persson
Chemical science 12 (13), 4931-4939, 2021
482021
Data-driven prediction of formation mechanisms of lithium ethylene monocarbonate with an automated reaction network
X Xie, EW Clark Spotte-Smith, M Wen, HD Patel, SM Blau, KA Persson
Journal of the American Chemical Society 143 (33), 13245-13258, 2021
402021
Improving machine learning performance on small chemical reaction data with unsupervised contrastive pretraining
M Wen, SM Blau, X Xie, S Dwaraknath, KA Persson
Chemical science 13 (5), 1446-1458, 2022
262022
Quantum chemical calculations of lithium-ion battery electrolyte and interphase species
EWC Spotte-Smith, SM Blau, X Xie, HD Patel, M Wen, B Wood, ...
Scientific Data 8 (1), 203, 2021
262021
Copper (I)-catalyzed dehydrative C-glycosidation of unprotected pyranoses with ketones
XF Wei, SL Shi, XW Xie, Y Shimizu, M Kanai
Acs Catalysis 6 (10), 6718-6722, 2016
172016
Room-temperature calcium plating and stripping using a perfluoroalkoxyaluminate anion electrolyte
NJ Leon, X Xie, M Yang, DM Driscoll, JG Connell, S Kim, T Seguin, ...
The Journal of Physical Chemistry C 126 (32), 13579-13584, 2022
162022
Reductive Decomposition Kinetics and Thermodynamics That Govern the Design of Fluorinated Alkoxyaluminate/Borate Salts for Mg-Ion and Ca-Ion Batteries
X Xie, NJ Leon, DW Small, EWC Spotte-Smith, C Liao, KA Persson
The Journal of Physical Chemistry C 126 (49), 20773-20785, 2022
52022
Towards a Mechanistic Explanation for Solid Electrolyte Interphase Formation in Lithium-Ion Batteries
EWC Spotte-Smith, RL Kam, D Barter, J Self, X Xie, T Hou, S Dwaraknath, ...
Electrochemical Society Meeting Abstracts 241, 2268-2268, 2022
2022
Probing Stabilities of Weakly Coordinating Anions for Multivalent Electrolytes
NJ Leon, X Xie, EWC Spotte-Smith, NT Hahn, KR Zavadil, KA Persson
240th ECS Meeting (October 10-14, 2021), 2021
2021
Quantum chemical calculations of lithium-ion
EWC Spotte-Smith, SM Blau, X Xie, HD Patel, M Wen, B Wood, ...
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