Dataset Groups Activity Stream 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. BibTex: @dataset{John_I_Falk_and_Luigi_Bonati_and_Pietro_Novelli_and_Michele_Parrinello_and_Massimiliano_Pontil_2024, abstract = {The OC20 dataset is a large dataset of ab initio calculations aimed at estimating adsorption energies on catalytic surfaces.}, author = {John I. Falk and Luigi Bonati and Pietro Novelli and Michele Parrinello and Massimiliano Pontil}, doi = {10.57702/ibzw3gyd}, institution = {No Organization}, keyword = {'ab initio calculations', 'adsorption energies', 'catalytic surfaces'}, month = {dec}, publisher = {TIB}, title = {Open Catalyst 2020 (OC20) Dataset and Community Challenges}, url = {https://service.tib.eu/ldmservice/dataset/open-catalyst-2020--oc20--dataset-and-community-challenges}, year = {2024} }
