In crude oil and more generally petroleum chemistry, the industry needs to know and predict the composition and the behavior of large and complex matrices. In that scope, molecular simulations are able to investigate the aggregation processes, the diffusion mechanisms and the thermodynamic properties of systems of interest under various thermodynamic conditions or chemical-physics conditions. In collaboration with industrial partners, we develop and enforce molecular Simulations adapted to the investigation of these systems in order to draw a cartography of complex matrices in crude oil.

• Molecular Dynamics
• Force Field development
• Reactive Force Field