Conditions Extrêmes et Matériaux : Haute Température et Irradiation
CEMHTI - UPR3079 CNRS

utilisateur non identifié  |   Login

Modélisation: in situ, in silico
Computational approach : in situ, in silico

Responsable : François Vivet / List of Publications...

One recent publication...

2018 Aïmen E.Gheribi, Kelly Machado, Didier Zanghi, Catherine Bessada, Mathieu Salanne, Patrice Chartrand
On the determination of ion transport numbers in molten salts using molecular dynamics
Electrochim. Acta 274 266–273 (2018) [view,doi]


The calculus/simulation activity has been growing for the last years. The regional cluster ARTEMIS hosted in ISTO lab is very helpfull aswell as the CEMHTI own mini-cluster and the virualization solutions (VSphere) that CEMHTI bought.

We are able to provide virtual machines emulated under VSphere to optimize the entry files necessary for the different codes used (PIM, VASp, CASTEP, ...) in order to perform molecular dynamic calculus for instance.

The transverse axe in-situ in-silico was created to centralize the tools and knowledge around these activities.

contact : calcul.cemhti@cnrs-orleans.fr
François Vivet & Didier Zanghi


Publications des membres | member's publications
Group by   1 records found
ACL

doi  
Aïmen E.Gheribi, Kelly Machado, Didier Zanghi, Catherine Bessada, Mathieu Salanne, Patrice Chartrand
"On the determination of ion transport numbers in molten salts using molecular dynamics"
Electrochimica Acta 274 266–273 2018