RESEARCH

Anyone can do calculations nowadays.

Anyone can also operate a scalpel.

That doesn't mean all our medical problems are solved.

– Karl Irikura

What are the electrons in a molecule doing and how do these electrons affect the properties of the molecule?– We are intrigued by this question and interested in studying the electronic structure and spectroscopy of many-electron systems using state-of-the-art ab initio methods. We do paper-and-pencil-type work and perform numerical experiments to understand chemistry and predict various properties including the high-precision spectroscopic properties of molecules.  The broad areas of our research are Computational Chemistry and Chemical Physics.

At present, our research focuses on

• Relativistic Electronic Structure Theory Click here  

• Non-Covalent Interactions Click here 

• Chemical Education Click here 

FUNDING:

• DST-INSPIRE Faculty Fellowship Research Grant (Rs. 35,00,000) for the project titled "Heavy-Elemental Polyatomic Molecules for High-Precision Spectroscopy" (2022-2027)

• ANRF PM Early Career Research Grant (Rs. 48,25,200) for the project titled "Design and Exploration of Molecules for Applications in Fundamental Physics and Quantum Information Science using Quantum Chemical Approaches" (2025-2028)