MACE-MPA-0 Multi-fidelity Pretrained Atomistic
Multi-fidelity pretrained atomistic model covering all 118 elements. Trained on diverse materials databases with multiple DFT functionals for broad applicability across chemistry and materials science domains.
| Version | 1.0.0 |
|---|---|
| Creator | ACEsuit |
| Delivery | executable |
| Requirements | ram: 8GB; disk: 500MB |
Features
- Single-point energy calculations
- Force predictions
- Stress tensor calculations
- Geometry optimization
- Periodic boundary conditions
- All 118 elements supported
Keywords
universal-potentialmulti-fidelityall-elementspretrainedfoundation-model
Citation
Batatia, I., et al. (2024). MACE-Universal: Universal Foundation Models for Chemistry and Materials.