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Updated: Jun 14, 2025

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使用FEASST版本0.25.1进行蒙特卡洛分子模拟.

Harold W Hatch1, Daniel W Siderius1, Vincent K Shen1

  • 1Chemical Informatics Research Group, Chemical Sciences Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8380, USA.

The Journal of chemical physics
|September 5, 2024
PubMed
概括

FEASST是一个开源的蒙特卡洛模拟软件包,用于基于粒子的建模. 它的面向对象设计有助于研究不同材料中的相位平衡,自组装和吸附.

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