Molecular simulations and machine learning potentials for graphene on liquid copper
收藏NIAID Data Ecosystem2026-05-01 收录
下载链接：
https://zenodo.org/record/6993871
下载链接
链接失效反馈官方服务：
资源简介：
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
创建时间：
2023-07-19
