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Open Catalyst 2020 (OC20) Dataset and Community Challenges

The OC20 dataset is a large dataset of ab initio calculations aimed at estimating adsorption energies on catalytic surfaces.

Data and Resources

Cite this as

John I. Falk, Luigi Bonati, Pietro Novelli, Michele Parrinello, Massimiliano Pontil (2024). Dataset: Open Catalyst 2020 (OC20) Dataset and Community Challenges. https://doi.org/10.57702/ibzw3gyd

DOI retrieved: December 17, 2024

Additional Info

Field Value
Created December 17, 2024
Last update December 17, 2024
Defined In https://doi.org/10.48550/arXiv.2306.01589
Author John I. Falk
More Authors
Luigi Bonati
Pietro Novelli
Michele Parrinello
Massimiliano Pontil
Homepage https://doi.org/10.1021/acs.catal.1c00134