zenodoopen
Efficient parameterization of transferable Atomic Cluster Expansion for water
<p>This collection contains files associated with Journal of Chemical Theory and Computation. "Efficient parameterization of transferable Atomic Cluster Expansion for water" (2024) paper:</p> <p>- ACE potentials for water.</p> <p>-Active set inverted (ASI) for the ACE potential</p> <p>- Training dataset that was used for fitting Atomic Cluster Expansion potential.</p>
ShareScore
36/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 4
- Access
- 20
- Reuse readiness
- 8
- Engagement
- 0