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Physically inspired atom-centered symmetry functions for the construction of high dimensional neural network potential energy surfaces 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 186, 页码: 7
Authors:  Zhang, Kangyu;  Yin, Lichang;  Liu, Gang
Favorite  |  View/Download:93/0  |  Submit date:2021/03/15
Machine learning  Potential energy surface  Atom centered symmetry function  Solid electrolyte  Molecular dynamics simulation