Basic a nd advanced molecular modelling: molecular mechanics and dynamics; electronic structure calculations (model chemistries, energy calculations, geometry optimizations, prediction of chemical properties); theoretical methods (Hartree-Fock theory, electron correlation methods, density functional theory, excited state methods); calculation and prediction of molecular spectra.Weekly
Basic a nd advanced molecular modelling: molecular mechanics and dynamics; electronic structure calculations (model chemistries, energy calculations, geometry optimizations, prediction of chemical properties); theoretical methods (Hartree-Fock theory, electron correlation methods, density functional theory, excited state methods); calculation and prediction of molecular spectra.Weekly
