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Updated: Jan 15, 2026

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对于粗粒度分子动力学的压力一致的代博尔兹曼倒置

Zheng Yu1, Ryan J Szukalo1, Quinn M Gallagher2

  • 1Department of Chemistry, Princeton University, Princeton, New Jersey 08544, United States.

Journal of chemical theory and computation
|October 7, 2025
PubMed
概括

新的粗粒化方法,代范围转换 (iRT) 和代线性校正 (iLC) 提高了分子模拟中的压力精度. 这些方法提高了热力学一致性,以更好地进行粗粒度模型开发.

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