Atomic Cluster Expansion for a General-Purpose Interatomic Potential of Magnesium
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下载链接：
https://zenodo.org/record/10021806
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资源简介：
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
