Synthetic Force-Field Database for Training Machine Learning Models to Predict Mobility-Preserving Coarse-Grained Molecular-Simulation Potentials

已完结 10 由 huang 发布于 2025/2/19 21:14:26

DOI:10.1021/acs.jctc.4c00242
文献类型：期刊论文
补充材料：只需要正文
文献链接：https://doi.org/10.1021/acs.jctc.4c00242

American Chemical Society (ACS)

Abstract：Balancing accuracy and efficiency is a common problem in molecular simulation. This tradeoff is evident in coarse-grained molecular dynamics simulation, which prioritizes efficiency, and all

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