Welcome to the Nandi Lab

We are a research group focused on computational physical (bio)organic chemistry. Our work combines advanced quantum chemical calculations, multiscale simulation methods and machine learning algorithms to explore:

Reactivity, selectivity, and quantum tunneling effects in organo- and organometallic catalysis for sustainable chemistry
The mechanisms of enzyme catalysis, aiming to improve reaction efficiency and advancing drug discovery

Our mission is to deepen the understanding of complex chemical and biological processes and to drive innovation in catalysis and pharmaceutical development.

Join Our Research Group

Interested in computational chemistry and catalysis research? We welcome passionate researchers to join our team.