Computational approaches for surfaces and catalytic processes

Ponente: Dra. Monica Calatayud
Semblanza: M. Calatayud is presently Associate Professor in the Theoretical chemistry Lab at Sorbonne Université (Paris, France). She studied chemistry in Universitat Jaume I (Castello, Spain) where she obtained the bachelor, then PhD in 2001 with special distinction. She moved to Université P. M. Curie in Paris, France for a postdoctoral position and was appointed Associate Professor in 2005. Her interest in research is focused on modelling materials, from gas phase clusters to surfaces and crystals, with special emphasis in technologically relevant systems: VOx, TiO2, CeO2, ZrO2, Ga2O3.
She uses a variety of quantum chemical tools, mainly molecular and periodic approaches, to elucidate structure-properties relationships for application in heterogeneous catalysis, photomaterials or metal self assembled monolayers SAMs. She is author of 100 publications and has supervised 7 PhD students. She was Marie Curie Individual Fellow and junior member of the prestigious French institute for excellence in science IUF between 2011-2016.