Linux Users: Chemists at work!

[*] Mathieu Didier : investigation of non-adiabatic dynamics of electrons in shock-waves, fast semi-empirical and empirical methods (especially molecular mechanics/incremental methods) to estimate properties of organic materials or liquid (e.g. density, heat of formation and of sublimation, impact sensitivity...) from the molecular structure, prior to synthesis, one purpose being the design of energetic materials.