UE Molecular modelling

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Degrees incorporating this pedagocial element :

Description

Common modelling methods based on classical (MM, MD) and quantal (HF, DFT) approaches are addressed and their application are illustrated during lectures. Three computational labs are made to make students familiar with the application of these methods. Students will acquire the basic knowledge about the usual modelling methods in chemistry in order to be able to apprehend a theoretical work and collaborate with theoretical chemists.