Theoretical Chemistry & Modeling Group

Prof. Jean-Christophe SOETENS

Institut des Sciences Moléculaires
Theoretical Chemistry & Modeling Group

UMR CNRS - Université de Bordeaux no 5255
Bât A12, 3 ème étage est, #B16

351, Cours de la Libération
F-33405 Talence Cedex

(++33) (0)5 4000 2242

jean-christophe.soetens@u-bordeaux.fr

 

Education
I received my Ph.D. in 1996 from the University of Nancy I, where my advisors were Pr. Claude Millot and Pr. J.L. Rivail. Prior to joining the department of chemistry at the university Bordeaux 1, I was a postdoctoral fellow at the Institut für Theoretische Chemie of Düsseldorf with Dr. Georg Jansen.

 

Research Interests
My research interests focus on the use of computer simulation methods to describe the structural, thermodynamic and dynamic properties of polar molecular fluids, ionic solutions and molecular crystals. I am also interested in the development of potential energy function that include explicitly nonadditive effects such as polarization.

See the Modeling and Simulation of Condensed Phases page.

Keywords :
Computer simulations, Molecular Dynamics
Structure and dymanics of systems
Pure liquids, ionic solutions,  interfacial systems, inclusion compounds
Nonadditive potentials
Distributed multipoles and polarizabilities


List of publications
Lectures, seminars and posters


Teaching