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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.

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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

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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