Exploring the configuration space of elemental carbon with empirical and machine learned interatomic potentials
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https://zenodo.org/record/7463705
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资源简介：
This dataset contains a vertical slice of the data used to generate the results found in the publication "Exploring the configuration space of elemental carbon with empirical and machine learned interatomic potentials"
It contains nested sampling input files and trajectory files for each potential studied, as well as the xml files and training data for the new potential, GAP-20U+gr.
创建时间：
2022-12-21
