Research Interest

Ground & Excited State Quantum Chemistry

Vibronic Spectroscopy, Computational Photochemistry

Classical Molecular Dynamics Simulations of Biomolecules

Protein-ligand/Protein-DNA Interactions and Allosteric Effect

Hybrid QM/MM Calculations

Photochemical Reactions in Protein Environment

Non-conventional Forcefield Developments

Ab-initio Force Fields Development for Spectroscopy and Non-covalent Interactions