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 chemical processes and polartionic 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.
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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).