Theoretical Chemistry Group
(TCG-IISER TVM)
Dr. R. S. Swathi
The activities of our research group have been in the broad area of Theoretical Chemistry. Our main objective is to provide a fundamental understanding of various chemical systems and phenomena using analytical and computational approaches involving classical as well as quantum mechanical principles. Our work is mainly
focused in the following areas:
1. Interactions of atoms, ions, molecules and molecular clusters with the carbon-based materials like graphene, graphene oxide, graphane, graphyne, graphdiyne and carbon nanotubes
2. Modelling the encapsulation behavior of atoms, atomic clusters and various molecules into carbon nanotubes using analytical approaches.
3. Study of optical excitations in metal nanostructures and their utility as substrates in surface- enhanced spectroscopy using classical electrodynamics.
Dr. V. Sivaranjana Reddy
My research interests are aimed at understanding of fundamental aspects of
excited-state photophysics/photochemistry of pi-conjugated molecular systems.
Elucidation of vibronic (vibrational - electronic) coupling effects in the structure,
dynamics and optical properties of these systems is one of the prime objectives
of my research. Currently, I am working on the following areas:
1. Intersystem crossing (ISC) and reverse ISC
2. Ultrafast vibrational relaxation dynamics
3. Excited-State "Nonadiabatic" Intramolecular Proton Transfer (ESNIPT)
4. Photoinduced Electron Transfer (PET)