Data for: Interpolation and differentiation of alchemical degrees of freedom in machine learning interatomic potentials
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资源简介：
This is the dataset for the article "Interpolation and differentiation of alchemical degrees of freedom in machine learning interatomic potentials" by Juno Nam and Rafael Gomez-Bombarelli. Preprint: https://arxiv.org/abs/2404.10746 Code: https://github.com/learningmatter-mit/alchemical-mlip
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Zenodo创建时间：
2024-04-28
