Quantum dynamics of THEOSIM group

Group leader : Michele DESOUTER- LECOMTE
Laboratoire de chimie physique

The group’s work deals with the theoretical study of physico-chemical processes at the atomic and molecular scales and consists in developing models (of electronic structure, kinetics, dynamics, etc.), simulations and manage with uncertainties. The proximity of the points of view allows a common language and many interactions enriching and the subjects approaches are distinguished by the different types of systems or processes studied:

• Thermophysical Properties of Molecular Fluids-
• Internal dynamics of proteins
• Simulations of radiolytic species
• Quantum dynamics
• Valence Bond
• Management of uncertainties in physico-chemical models