Molecular simulations and machine learning potentials for graphene on liquid copper
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Dataset for the paper "Graphene at Liquid Copper Catalysts: Atomic-Scale Agreement of Experimental and First-Principles Adsorption Height". (DOI: 10.26434/chemrxiv-2022-99gfv) dataset/: Training and test sets for MTP md/: Initial atomic models of the Gr-Cu interface The full dataset will be uploaded after the publication of the paper.
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Zenodo创建时间：
2022-08-15
