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Study published in Nature Communications

Artificial-intelligence-driven discovery of catalyst “genes” with application to CO2 activation on semiconductor oxides

Artificial-intelligence-driven discovery of catalyst “genes” with application to CO2 activation on semiconductor oxides

A. Mazheika, Y. Wang, R. Valero, F. Vines, F. Illas, L. Ghiringhelli, S. Levchenko, and M. Scheffler of the NOMAD Laboratory of the Fritz Haber Institute developed and advanced artificial intelligence methods that enable the identification of basic materials parameters that correlate with materials properties and functions of interest (here the activation of CO2).