most citedArtifcial-intelligence-driven discovery of catalyst \textit{genes} with application to CO2 activation on semiconductor oxides

146 citations · 146 across the 1 of their papers we have counts for

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1 paper

cond-mat.mtrl-sci2019★ 146 cited

Artifcial-intelligence-driven discovery of catalyst \textit{genes} with application to CO2 activation on semiconductor oxides

Aliaksei Mazheika, Yanggang Wang, Rosendo Valero +5

Catalytic-materials design requires predictive modeling of the interaction between catalyst and reactants. This is challenging due to the complexity and diversity of structure-prop…