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Simultaneous application of the gradient theory and Monte Carlo molecular sim...
International audience -
Docking and Biomolecular Simulations on Computer Grids
International audience -
Analysis of the orientational order effect on n-alkanes: Evidences on experim...
International audience -
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... -
Shear viscosity of inhomogeneous hard-sphere fluids
International audience -
Absorption of carbon dioxide by ionic liquids with carboxylate anions.
International audience -
Density functional theory for the description of spherical non-associating mo...
International audience -
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... -
Understanding of adsorption mechanism and tribological behaviors of C18 fatty...
The current requirements in automotive lubrication impose complex formulation. Among all the additives present in oil, the presence of molybdenum dithiocarbamate and...
