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Updated: Jan 12, 2026

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
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在充电的聚合物-生物分子系统中加速能量最小化过程:一种增强的非线性联梯度方法

Hao Lin1, Yang Yu1, Enlong Shang2

  • 1Navigation College, Jimei University, Xiamen 361021, People's Republic of China.

The Journal of chemical physics
|November 4, 2025
PubMed
概括

一种新的Enlong Shang (ELS) 方法增强了用于复杂生物分子模拟的非线性并联梯度算法. 这种方法显著加快了能源最小化速度,实现了与传统方法相比的结果,并减少了计算时间.

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