Research data supporting "Machine learning based interatomic potential for amorphous carbon"
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下载链接：
https://www.repository.cam.ac.uk/handle/1810/262814
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资源简介：
Raw data relevant to the GAP interatomic potential model described in the publication, including output of molecular-dynamics trajectories, DFT reference data, and input files for GAP fitting. Due to the large file sizes, datasets from DFT-based molecular-dynamics simulations ("..._cp2k.tar.gz") and from GAP-based surface simulations ("..._surfaces.tar.gz") are provided as separate archives. The other data, including the GAP fitting input, are included in the main data file.
提供机构：
Apollo - University of Cambridge Repository
创建时间：
2017-01-31
