Avdhoot Datar

• Ph.D., Computational Chemistry, Indian Institute of Science Education and Research (IISER), Pune, India
• M.S., Physics, Department of Physics, University of Pune, India
• B.S., Physics, D. G. Ruparel College, University of Mumbai, India

Dr. Datar joined the University of Dayton in the fall of 2024. Prior to his move to Dayton, he was a postdoctoral researcher in Dr. Devin Matthews’ group at Southern Methodist University (Dallas), where he worked in the field of theoretical chemistry. Before that, he was involved in research on computational materials science at the University of Massachusetts Amherst.

His current work focuses on non-radiative decay mechanisms in biologically relevant photoexcited molecules.

For the latest updates on his research activities, please visit the Datar Lab website.

• CHM 123: General Chemistry I
• CHM 124: General Chemistry II
• CHM 124L: General Chemistry II Lab
• CHM 303: Physical Chemistry I
• CHM 304: Physical Chemistry II

• American Chemical Society
• American Physical Society

• Theory
• Computational Chemistry
• Quantum Mechanics
• Mixed Quantum-Classical Dynamics
• Computational Photochemistry and Spectroscopy

"Robust Tensor Hypercontraction of the Particle–Particle Ladder Term in Equation-of-Motion Coupled Cluster Theory," A Datar, DA Matthews, Journal of Chemical Theory and Computation, 2024, 20 (2), 708-720.

"Ab Initio Investigation of Intramolecular Charge Transfer States in DMABN by Calculation of Excited State X-ray Absorption Spectra," A Datar, S Gudivada, DA Matthews, The Journal of Physical Chemistry A, 2023, 127 (21), 4643-4649.

"Theoretical Investigation of the X-ray Stark Effect in Small Molecules," A Datar, C Wright, DA Matthews, The Journal of Physical Chemistry A, 2023, 127 (7), 1576–1587.

"Water-Controlled Keto-Enol Tautomerization in Prebiotic Nucleobase," A Datar, H Paithankar, P Deb, J Chugh, S Bagchi, A Mukherjee, A Hazra, The Journal of Physical Chemistry B, 2022, 126 (31), 5735-5743