Atomic Cluster Expansion for a General-Purpose Interatomic Potential of Magnesium
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This collection contains files associated with Physical Review Materials. "Atomic cluster expansion for a general-purpose interatomic potential of magnesium" (2023) paper: - ACE potentials for magnesium. -Active set inverted (ASI) for the ACE potential - Magnesium DFT-PBE dataset computed with FHI-aims and that was used for fitting Atomic Cluster Expansion potential for magnesium.
创建时间：
2023-11-06
