Theory and Computational Catalysis

WELCOME To My WEB SITE!

 

At the Departement of physics chemistry theory and modeling, part of the Charles Gerhardt's Institut of Montpellier we specialize in surface science and computational catalysis and cover the following research topics:

 

* Structure, chemical order and reactivity of nanoalloys: From the vacuum to the reaction conditions.
* Supported nanoparticles: Structure, metal/oxide support interactions, reaction profiles

 

METHODS:



- Ab-initio quantum methods in Material Science and DFT calculations

- Monte Carlo numerical simulations

-Ab-inito Molecular Dynamics

 

 



Short animated movie explaining one of our main subjects


Pôle Chimie Balard Recherche
Institut Charles Gerhardt de Montpellier – CNRS/UMR5253,
Département Physique Chimie Théorie et Modélisation
Campus du CNRS, 1919 route de Mende
34293 Montpellier Cedex 5-FRANCE

hazar.guesmi@umontpellier.fr
https://www.icgm.fr/hazar-guesmi