CT8: quantum chemistry and molecular modeling

The Thematic Committee CT8 : Chimie quantique et Modélisation moléculaire  covering the following areas :

  • Electronic properties of molecules
  • Structures. Reactivity
  • ab initio computing
  • semi-empiricals computing
  • Quantum dynamics (Car-Parinello)
  • quantum Monte-Carlo computing (Methods QMC)
  • Liquid state, Solvation
  • Molecular diffusion
  • Collisions (molecules-ions, electrons)
  • Quantum dynamics
  • Evolution waves.

The elected researcher representative of this CT can be join at the mail :



Characterization of gold/Palladium nanoparticles by a combined DRIFT/DFT approach : H. Guesmi et al., J. Catal.  308 (2013) 272



Dernière modification le : 11 June 2020