Education

Ph.D. in Computational Chemistry (2003)
Thesis: “Selective complexation of cesium : Intermolecular model potentials between an alkali cation and organic molecules”
DEA of Computational and Theoretical Chemistry (1999)
Thesis: “Intermolecular interaction studies: Development of algorithms and codes to compute terms from the 1st and 2nd order perturbation theory. Application to the OH-···(H2O)n systems“

Research Experience

Postdoctoral fellow, University of Göttingen, Germany
− Investigation of the structure, dynamics and spectroscopy of small hydrogen-bonded clusters by means of ab initio quantum chemistry and molecular dynamic methods.
− Molecular dynamic simulations of the solvation of different peptides in various solvents: effect of TFE on the folding/unfolding.
− Development of parameters and solvent models for the AMBER force field.
− Evaluation of the influence of polarization forces on the solvation of small peptides in water and TFE.
− Electronic and structure calculations using quantum chemistry packages such as GAUSSIAN or GAMESS on small organic molecules and peptides.
− Prediction of vibrational spectra of small hydrogen-bonded clusters.
− Providing daily computational chemistry and molecular modeling supports for students and/or members of the laboratory, lectures given on how to use the AMBER suite of programs.
− FTIR spectroscopy.
− Administration of Linux computers and providing support to users.
− Seminar organizer of the graduate school GRK782 in Göttingen: in charge of organizing biweekly graduate school seminars and coordinating graduate school activities such as workshops.

Ph.D. student, Commissariat à l’Énergie Atomique (CEA)

Scientific Activities and Publications

Computer Language and Skills

Other Skills and Interests