-
Poromechanics and adsorption : application to coal swelling during carbon geo...
Pas de résumé en anglais -
Theoretical tools for the description of adsorption in crystalline nanoporous...
I use and develop theoretical chemistry models and molecular simulation methods in order to study fluid adsorption in nanoporous cristalline materials, focussing on... -
Adaptive algorithms for molecular simulation
Molecular simulations have become an essential tool in biology, chemistry and physics. Unfortunately, they still remain computationally challenging. In this... -
Etude des interactions dans les mélanges {eau+alcanolamine} par simulation mo...
International audience -
Supercritical solvation of precious metals: a molecular simulation study.
Despite the vast economic interest it attracts, precious metal transport through hydrothermal fluids is still not well understood, and crucially depends on the species... -
Modélisation de l'adsorption dans les matériaux nanoporeux flexibles
Metal Organic Frameworks exhibit new and fascinating adsorption properties and flexibility. The coupling between those two aspect plays an important role to explain... -
Influence of water on the short-term and long-term mechanical properties of s...
The study of clay-based materials has many applications in civil and environmental engineering. These applications include underground nuclear waste disposal, the... -
Calculation of the interfacial tension of gas/water, gas/oil and oil/gas mixt...
The prediction of interfacial tension of fluids is critical for many industrial applications. Advances in molecular simulation, and the recent evolution of... -
Study of hydrogen solubility in nano-liquid confined
The adsorption of gases in micro/mesoporous materials and solubility of gases inliquids are physical phenomena well known. On the other hand, solubility of gases in...
