Pascal B. Email & Phone Number

Pascal Boulet obtained a PhD thesis in 2001 in the field of computational chemistry from the University of Lyon, France, (Prof. H. Chermette) and the University of Geneva, Switzerland (Prof. J. Weber). His main field of expertise is the modelling of solid-state materials using quantum methods, mainly the density functional theory (DFT), and classical approaches, namely Monte carlo and molecular dynamics simulations. During his PhD thesis, he implemented the DFT method to investigate catalytic chemical processes at solid surfaces, optical properties of both polycyclic aromatic hydrocarbons and metal complexes. During the period 2001-2003 he moved to London, UK, as a post-doctoral fellow in the group of Prof. Peter Coveney at University College London to work on clay-polymers materials using both Monte Carlo and molecular dynamics simulations. In 2003 he got a position as assistant professor at the University of Montpellier (France). From 2004 to 2010 he was assistant professor at Aix-Marseille University, France, then associate professor from 2010 to 2017 and got a full professorship position in 2017. He is mainly interested in thermoelectric materials for electric power production using computational modelling (DFT, Boltzmann transport theory), but also in photovoltaics and electrocatalysts. He also uses the “quantum theory of atoms in molecules” as a tool to develop a structure-properties understanding of thermoelectric materials.