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Updated: Jan 16, 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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机器学习电荷和远程相互作用的能量和力量

Daniel S King1, Dongjin Kim2, Peichen Zhong1

  • 1Bakar Institute of Digital Materials for the Planet, UC Berkeley, California, CA, USA.

Nature communications
|October 1, 2025
PubMed
概括

隐性埃瓦尔德总和 (LES) 在原子学模拟中准确地模拟了远程力量. 这种机器学习方法可以改善各种化学和材料系统中静电和分散相互作用的预测.

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