X Workshop on Novel Methods for Electronic Structure Calculations, La Plata (Argentina), 4th to 6th Dec. 2023
Verónica Ganduglia (CSIC-IPC); oral presentation: “Assessment of density functional approximations for correlated oxides surface chemistry: The case of CO bound to CeO2 surfaces”; authors: Verónica Ganduglia, Pablo G. Lustemberg
Darío Estrín (CONICET; oral presentation: “QM-MM simulations using the ANI machine learning potential: assessment of embedding schemes”; authors: J.S. Grassano, J.A. Semelak, M.C. González-Lebrero, A. Roitberg, D.A. Estrín
Verónica Sánchez (CONICET); poster presentation: “Theoretical study of Fe3O4 (111) and (001) surfaces and their reactivity towards H2O2”; authors: V.M. Sánchez, P.L. Lustemberg, T. Soteras, D.A. Estrín, M.V. Ganduglia-Pirovano