Senior Staff Scientist (03/2020 - present) CNR-IOM, Trieste
Staff Scientist (05/2009 - 02/2020) CNR-IOM, Trieste
Postdoc (12/2008-05/2009) SISSA, Trieste
Postdoc (11/2006-12/2008) School of Physics, University of Sydney
I use computer simulations to model materials and chemical processes at the atomic scale. I am interested in a variety of problems in catalysis, including the mechanism and kinetics of thermal reactions in heterogeneous catalysis, solid-liquid interfaces, the thermodynamics and kinetics of photo- and electro-catalysis. In particular, I am interested in processes related to the use of renewable energy sources to produce chemical fuels. The type of simulations I perform are mostly based on density functional theory (DFT).