First-principles DFT approaches for understanding the reactivity of transition metal nanoclusters. Are we close to an in silico design of efficient nanocatalysts?

Romuald Poteau

Romuald Poteau

Professor,

Université Paul Sabatier, Laboratoire de Physique et Chimie des Nano-Objets, Toulouse

France

Romuald POTEAU is Professor at the Paul Sabatier University of Toulouse (France) in the Laboratory of Physics and Chemistry of Nano-Objets (LPCNO). In 1993 he received a PhD in theoretical chemistry from the same university. From 1997 to 1999 he occupied a two-year full-time research position at the CNRS, dedicated to the development of molecular pseudopotentials. In 2002, he obtained the so-called Habilitation à Diriger des Recherches, entitled “Functional chemical groups: actors or spectators?”. He is the former deputy director of the multidisciplinary LPCNO lab (2007-2011) and head of the Physical and Chemical Modeling group of this laboratory since 2007. His research interests include Metal clusters and Nanoclusters, Coordination Chemistry and Theoretical Inorganic Chemistry, Peptidomimetic Compounds, Global Optimization Methods, Molecular Pseudopotentials, Spectroscopic Properties of Large Molecules, mainly using DFT methods. These last years, he attempts to bridging the gap between molecular inorganic chemistry and nanochemistry.

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