-EAM:

Jun Yang1,2, Zhitao Chen1,3, Hong Sun1

  • 1Physics Division, Lawrence Livermore National Laboratory, Livermore, California 94550, United States.

概括

我们开发了graph-EAM,一个轻量级的图形神经网络,用于准确的原子间潜能建模. 这种方法以更少的参数实现了高精度,增强了材料科学中的分子动力学模拟.

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