Research areas:

Interaction of molecular and atomic dihydrogen with matter
Corrosion
Activation of small molecules by organometallic complexes

Expertise:

Density Functional Theory (DFT) : VASP, SIESTA, Gaussian
Empirical force field coupled to DFT
Fukui function
Quantic topology in molecular space (ELF, bond critical points)
Statistic physics methods coupled to DFT