Excited state and multiscale computational chemistry group (Padmabati Mondal)

Our group focuses on development and application of multiscale computational tools to connect real life phenomena with basic theory. This includes 1. Quantum mechanical study of excited state processes of organometallic complexes and chromophores 2. Theoretical study of biological enzyme catalysis reactions using QM/MM methods 3. Molecular dynamics simulation study of biomolecules leading to computational drug design