Theory and Computational Catalysis

WELCOME TO OUR WEB SITE!

 

At the MACS team of 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

 

 



Short animated movie explaining one of our main subjects

Institut Charles Gerhardt – UMR5253-Equipe MACS
104 rue de la Galèra
34090 Montpellier Cedex 5
+33 (0)4 67 16 34 67

 

hazar.guesmi@enscm.fr