Molecular dynamics study on magnesium hydride nanoclusters with machine-learning interatomic potential

已取消 100 由 ttang 发布于 2025/10/7 20:06:34

DOI:10.1103/PhysRevB.102.094111
文献类型：期刊论文
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文献链接：https://doi.org/10.1103/PHYSREVB.102.094111
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American Physical Society (APS)

Abstract：We introduce a machine-learning (ML) interatomic potential for Mg-H system based on Behler-Parrinello approach. In order to fit the complex bonding conditions in the cluster structure, we co

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