QCL Group, September 2022

Welcome to Quantum Chemistry Laboratory at Indian Institute of Technology Bhubaneswar. We develop and apply theoretical and computational tools based on quantum mechanics to solve problems relevant for chemistry, biochemistry, physics, and materials sciences.

Dr. Kousik Samanta
(Principal Investigator)
Room: 228 (SBS)
School of Basic Sciences
IIT Bhubaneswar, Argul
Odisha 752050, India.
Email: kousik AT iitbbs.ac.in
Phone: +91-674-713-5128

We are interested in

  • Photo-chemical processes
  • Electron-molecule scattering
  • Mechanisms of chemical reactions
  • Drug-enzyme interactions

We specialize in

  • Electronic structure theory
  • Non-adiabatic quantum dynamics
  • Semi-classical dynamics
  • Quantum mechanical/ molecular mechanical (QM/MM) methods
  • Machine learning