Catalysis-Hub

Catalysis-Hub is a research-grade surface reaction database focused on surface reaction energies, adsorbate structures, and catalytic reaction data for computational catalysis, microkinetics, and ML screening. It is useful for graduate-level materials research, reproducible benchmarking, model training, validation, and comparison across computational, experimental, or characterization workflows.

Citation: Catalysis-Hub. Materials dataset resource. https://www.catalysis-hub.org

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