Computational and Theoretical Chemistry
                Molecular Dynamics Simulations


  • Field: Computational and Theoretical Chemistry

    • Structure and Dynamics of Battery electrolytes
    • Diffusive barrier of ions in electrodes
    • Reactions and Dynamics at electrode-electrolyte interface
    • Catalysis on single-layer materials: OER and HER




    - For prospective research students, who wish to join our group - This is how you can plan your journey, if you have CSIR/UGC-JRF/INSPIRE fellowship; you can join anytime.
    Only valid as a model template for our group.


  • Teaching:

    • CY 8xxx: Modern simulation methods
    • CY 7250: Molecular modelling of complex chemical systems
    • CY 6220: Physical methods in chemistry
    • CY 6230: Principles of quantum chemistry
    • CY 5250: Chemical binding and Molecular symmetry
    • CY 5240: Quantum chemistry and molecular spectroscopy
    • CY 1031: Dynamics of chemical systems (2 credits)
    • CY 1020: Dynamics of chemical systems (1 credit)
  • Scientific Society

    • Life Membership (2785), Chemical Research Society of India (CRSI)