Single-atom alloy catalysts designed by first-principles calculations and artificial intelligence

por Han, Zhong-Kang, Sarker, Debalaya, Ouyang, Runhai, Mazheika, Aliaksei, Gao, Yi, Levchenko, Sergey V.
Publicado 2021

Artificial-intelligence-driven discovery of catalyst genes with application to CO(2) activation on semiconductor oxides

por Mazheika, Aliaksei, Wang, Yang-Gang, Valero, Rosendo, Viñes, Francesc, Illas, Francesc, Ghiringhelli, Luca M., Levchenko, Sergey V., Scheffler, Matthias
Publicado 2022

Ni Single Atom Catalysts for CO(2) Activation

por Millet, Marie-Mathilde, Algara-Siller, Gerardo, Wrabetz, Sabine, Mazheika, Aliaksei, Girgsdies, Frank, Teschner, Detre, Seitz, Friedrich, Tarasov, Andrey, Levchenko, Sergey V., Schlögl, Robert, Frei, Elias
Publicado 2019