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Updated: Jul 5, 2025

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一个简单的高效的算法,用于分子模拟恒定电位电极的分子模拟

Ranisha S Sitlapersad1, Anthony R Thornton1, Wouter K den Otter1

  • 1Department of Fluid and Thermal Engineering and MESA+ Institute for Nanotechnology, University of Twente, Enschede, The Netherlands.

The Journal of chemical physics
|January 18, 2024
PubMed
概括

超级电容器的分子动力学模拟是计算密集的. 本研究介绍了一种通用的恒定电位方法 (CPM) 实现,该方法可显著提高电气双层电容模拟器的速度和可扩展性.

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