We are an interdisciplinary team at the Tata Institute of Fundamental Research Hyderabad, India. Our group uses computer-based approaches to study the quantum-mechanical principles that govern molecules and materials. We focus on how electronic structure and molecular geometry control bonding, reactivity, spectroscopy, biomolecular interactions, excited states, and materials properties.
Our work depends on high-performance computation.

Students who want to jon the lab do not need prior programming experience to join the group, although it is welcome. More important are curiosity, problem-solving ability, and an interest in developing theoretical and computational skills.