Small-data-based Machine Learning Interatomic Potentials for Graphene Grain Boundaries Enabled by Structural Unit Model
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资源简介：
Data for manuscript, entitled: "Small-data-based Machine Learning Interatomic Potentials for Graphene Grain Boundaries Enabled by Structural Unit Model"
(1) Vasp input files for calculating interatomic force constants
(2) The trained GAP and training dataset
创建时间：
2023-02-27
