Computational and Theoretical Chemistry

Namaskaram! We are a theoretical/computational group at the Department of Chemistry in IIT Dharwad. Our research primarily aims to understand the fundamental aspects of excited-state chemistry and strong light-matter interaction phenomenon in molecules. We employ and develop the computationally accessible tools to investigate the underlying principles of light-matter systems.

Connect us on Twitter @PlrtnQdExc

Open Positions

PhD positions are available. Interested in quantum chemistry, quantum dynamics or light-matter interactions? Please contact me (at maheshg@iitdh.ac.in) with your CV.

If you are interested in working with our research group as a BS-MS or Int PhD, please feel free to contact me at maheshg@iitdh.ac.in

Representative Publications

1. Mahesh Gudem∗ and Markus Kowalewski∗ ,“Cavity-modified Chemiluminescent Reaction of Dioxetane.”, J Phys. Chem. A. 127, 45, (2023) [Featured as a Front Cover].

2. Mahesh Gudem∗ and Markus Kowalewski∗ “Triplet-triplet Annihilation Dynamics of Naphthalene.”, Chem. Eur. J. 28, 40,

e202200781 (2022) [Featured as Inside cover].

3. Mahesh Gudem∗ and Markus Kowalewski∗ “Controlling the Photostability of Pyrrole with Optical Nanocavities.”, J. Phys. Chem. A. 125, 5 (2021) [Featured as a Front cover].

4. Mahesh Gudem∗ and Anirban Hazra∗ , “ Mechanism of the Chemiluminescent Reaction between Nitric Oxide and Ozone.”,

J. Phys. Chem. A. 123, 4 (2019) [Featured as a Front cover].

5. Mahesh Gudem∗ and Anirban Hazra∗ , “Intersystem Crossing Drives Photoisomerization in o-Nitrotoluene, a Model for

Phtolabile Caged Compounds.”, J. Phys. Chem. A. 122, 21 (2018).