Ground and excited state quantum chemistry
Vibronic Spectroscopy, computational photochemistry
Vibronic Spectroscopy, computational photochemistry
Classical Molecular Dynamics Simulations of biomolecules
Protein-ligand interactions and allosteric effect
Protein-ligand interactions and allosteric effect
Hybrid QM/MM calculations
Photochemical reactions in Protein environment
Photochemical reactions in Protein environment
Non-conventional Forcefield developments
Ab-initio force fields development for spectroscopy and non-covalent interactions
Ab-initio force fields development for spectroscopy and non-covalent interactions