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Lifeng Xu1,2, Jian Jiang1,2

  • 1Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Polymer Physics and Chemistry, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China.

概括

这项研究引入了一个物理信息的神经网络 (PINN) 力量场,将物理原理与机器学习相结合,用于准确的分子模拟. 这种新的方法可以在最小的计算成本下实现高精度和宏观性质的强大预测.

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