Dataset - Fingerprinting Complex Atomic Environments: Learning Local Segregation Energy Behavior at Grain Boundaries
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资源简介：
Dataset for reference with article "Fingerprinting Complex Atomic Environments: Learning Local Segregation Energy Behavior at Grain Boundaries". Dataset contains files for ML training and evaluation of Ni-P segregation energy from bicrystalline, amorphous, and polycrystalline simulations as outlined in the article.
创建时间：
2022-02-22
