Molecular simulations and machine learning potentials for graphene on liquid copper
收藏Zenodo2023-07-18 更新2026-05-25 收录
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https://zenodo.org/record/6993871
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Dataset for the paper: Gao, H. et al. Graphene at Liquid Copper Catalysts: Atomic-Scale Agreement of Experimental and First-Principles Adsorption Height. Advanced Science 9, 2204684 (2022). (DOI: 10.1002/advs.202204684) zenodo/dataset/: Training and test sets for MTP zenodo/md/: Initial atomic models of the Gr-Cu interface, input files and resulting trajectories of MD simulations zenodo/potentials/: Trained MTP potential files
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Zenodo创建时间：
2022-08-15
