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 | 70 | 2020 |
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 | 68 | 2022 |
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 | 66 | 2017 |
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 | 51 | 2021 |
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 | 46 | 2021 |
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 | 29 | 2021 |
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 | 25 | 2022 |
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 | 18 | 2022 |
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 | 17 | 2016 |
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 | 6 | 2022 |
Design Principles and Routes for Calcium Alkoxyaluminate Electrolytes NJ Leon, S Ilic, X Xie, H Jeong, Z Yang, B Wang, EWC Spotte-Smith, ... The Journal of Physical Chemistry Letters 15 (19), 5096-5102, 2024 | 1 | 2024 |
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, ... | | |