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Updated: Feb 26, 2026

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
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Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on: August 22, 2025

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一个精确的充电感知机器学习原子间潜力,用于减少溶液中的离子电池电解质

Yujing Wei1,2, John L Weber2, James M Stevenson2

  • 1Columbia University, New York, New York 10027, United States.

Journal of chemical theory and computation
|February 24, 2026
PubMed
概括

机器学习的原子间潜力 (MLIP) 准确地模拟了离子电池固体电解质相间形成. 这项工作引入了MPNICE以模拟前所未有的精度电化学过程和电解质减少.

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