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Updated: May 12, 2026

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水的粗粒模拟:一个比较研究和概述.

Sanjeet Kumar Singh1, Ali Noroozi1, Armand Soldera1

  • 1Department of Chemistry, Université de Sherbrooke, Sherbrooke, Quebec J1K2R1, Canada.

The Journal of chemical physics
|April 8, 2025
PubMed
概括

粗粒度 (CG) 力场使得水系统的模拟时间更长. 这项研究将6个CG水模型与全原子模拟进行比较,发现SPICA在扩散和度方面表现出色,而IBI模型准确地反映了结构.

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