Institut de recherche de Chimie de Paris
Équipe : "interfaces, électrochimie et énergie"
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Boubakar Diawara is the header of the Modelling group at LPCS. His researches covers the following fields :
Atomistic modeling
- of the growth of oxide film on alloys
DFT study of
- Structure and properties of thin films grown on alloys
- Mechanisms of the initiation of localized corrosion
- Adsorption and reactivity of small molecules (H2O, NH3) on metals
or oxides surfaces
- Interaction of biomolecules with oxides surfaces
(bio corrosion, bio compatibility)
Software development
- SIMCOR (KMC simulation)
- MODELVIEW (model building, visualization of VASP calculation results)
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