Physical Chemistry (2009)

Vibrational spectroscopy provides information about the structure and dynamics of studies systems, but also about interactions of molecules with the environment. Spectral interpretation os often based on extensive simulations. This theme comprises many projects related to the development of combined quantum and classical simulations methods, so that modern vibrational techniques, such as those exploring molecular optical activity, can be used for new applications: peptide-metal complexes as models of prion aggregates, anharmonic systems, sugars, colloid assemblies, etc.