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
Coupled Cluster, a powerful cornerstone of computational quantum chemistry, stands at the heart of our research endeavors. With its ability to provide highly accurate predictions for molecular properties and interactions, we harness the potential of Coupled Cluster to unravel the intricacies of complex systems. Through meticulous calculations that consider electron correlation effects, we unlock insights into molecular structures, reaction mechanisms, and energetic landscapes. Our research lab is committed to pushing the boundaries of Coupled Cluster methodology, advancing our understanding of chemical phenomena, and contributing to innovations across various scientific disciplines.
Molecular Excited States
Get ready to take a joyride into the electrifying world of molecular excited states! At our research hub, we're like scientific detectives donning virtual sunglasses to uncover the coolest secrets of molecules when they're feeling a bit extra – in their excited states. Imagine molecules hitting the dance floor of quantum mechanics, shaking up their electrons and emitting vibrant bursts of energy. Our mission? To capture these flashy moments, decode the flashy moves, and figure out how these energetic escapades can lead to revolutionary breakthroughs. So, if you're ready to surf the waves of photon-pumped euphoria, come join our team as we unravel the groovy mysteries of molecular excitement, one photon jump at a time! 🕶️🎉
Molecules in Magnetic Fields
Step into our whimsical world of "Molecules in Magnetic Fields" research, where molecules don't just follow the rules, they dance to the beats of magnets! Imagine molecules pirouetting and twirling under the influence of magnetic forces, revealing their hidden secrets in the most enchanting ways. In our lab, we're like cosmic choreographers, orchestrating a dazzling show of atomic waltzes and electron spins. With a sprinkle of science fiction flair, we're turning magnetic fields into our stage and molecules into the stars of the show. Join us in this captivating adventure where science and imagination tango together, and witness the magnetic magic that makes molecules groove and science come alive!
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’.