ORB v3 Conservative Inf MPA
Neural network potential for broader chemistry applications. Conservative mode with unlimited neighbors trained on MPTraj + Alexandria datasets. Suitable for diverse chemical systems beyond pure inorganic materials.
| Version | 3.0.0 |
|---|---|
| Creator | Orbital Materials |
| Delivery | executable |
| Requirements | ram: 4GB; disk: 550MB |
Keywords
computational-chemistrybroader-chemistrymptrajalexandrianeural-network-potentialmolecular-dynamicsconservativehigh-accuracy
Citation
Rhodes, B., Vandenhaute, S., Šimkus, V., Gin, J., Godwin, J., Duignan, T., & Neumann, M. (2025). Orb-v3: atomistic simulation at scale. arXiv:2504.06231