MaterialsAtlas Dataset

JARVIS-FF

force-fieldsmlipbenchmarksjarvisdatasetsmaterials-dataresearch-grade

JARVIS-FF is a research-grade interatomic potential benchmark focused on interatomic potential, force-field, and atomistic simulation benchmark data for materials modeling and ML potential comparison. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.

Citation: JARVIS-FF. Materials dataset resource. https://jarvis.nist.gov/jarvisff

Acknowledgement: Curated by MaterialsAtlas Open Resources from public data portals, official project pages, benchmark suites, repositories, and publication-linked archives.

TypeDataset
DomainForce-field dataset
LicenseSee source
Contributorsjarvis.nist.gov