Indian Institute of Science Education and Research Kolkata
QuantAct
Through The Quantum Glass...
Theoretical Chemistry
Theoretical Chemistry broadly deals with modeling physical and chemical phenomena from first principles of interacting systems. In our group we deal with the most fundamental microscopic regime of interacting electrons and nuclei. We build and use models describing these interactions with quantum mechanics to describe bonding, reactivity and spectroscopy. Our group is dynamic and flexible and we are forever expanding our horizons. Please feel free to contact us to know about our most recent endeavors. Some of our fields of interest are described below..
Quantum Chemistry
Models for Electron Correlation
Molecular Excited States
Molecules in Magnetic Fields
Reaction Dynamics
We are currently engaged in fitting potential energy surfaces to carry out reaction dynamics both classically and quantum mechanically. One of our long-term aims is to describe astrochemical areactions under extreme extraterrestrial conditions.
Quantum Computing
We are adapting electronic structure theories to quantum computing methodologies in preparation for the future. One of our goals is also to upskill students to be ‘quantum-ready’.