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对模拟水-石墨烯封闭系统的深潜力模型的可转移性评估

Dongfei Liu1, Jianzhong Wu2, Diannan Lu1

  • 1Department of Chemical Engineering, Tsinghua University, Beijing 100084, People's Republic of China.

The Journal of chemical physics
|July 31, 2023
PubMed
概括

我们为石墨烯附近的水开发了两种深度潜力模型,发现模型的准确性取决于能量和力预测. 一个新的指标有助于评估大型系统的模型准确性.

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