In the quantum chemistry group at TIFR, we characterize the nature of “one-electron” in many-electron systems — ranging from atoms, molecules to materials — using ab initio theoretical approaches. This has direct implications towards understanding photoelectron spectroscopies and electron transfer process that are fundamental gateways to redox reactions, catalysis and solar-energy capture. Our research involves developing first-principles based theoretical formalisms, algorithms and computer codes that are tailored for modern supercomputers. We closely collaborate with experimental groups to tackle current problems in charge-transfer processes.

If you are interested in joining the group, please refer to the openings page.


December 2018 – Present
Mumbai, India


Tata Institute of Fundamental Research

July 2014 – September 2018
Irvine, USA

Postdoctoral researcher

University of California

Recent Publications

More Publications

A new series of Ln3+ and Ln2+ complexes has been synthesized using the tris(aryloxide)arene ligand system, ((Ad,MeArO)3mes)3−, …

The configuration interaction, perturbation theory, coupled cluster doubles, and random phase approximation methods are applied to a …


Theoretical tools for recent advances in photoelectron spectroscopy

Response-theory based method development.


TIFR is a leading research institute with a focus on fundamental research, and provides various opportunities for collaborative projects. My group is interested in developing robust first-principles based quantum chemistry methods with a focus on understanding charge-accommodation and charge-transport problems. If you would like to be a part of the quantum chemistry team at TIFR, then please consider the following options

Postdoctoral researcher: We currently have an opening for a postdoctoral researcher. The project involves developing and/or applying quantum chemistry methods for understanding electron-structure of liquids. If you are interested, please send me an email containing a one-page write-up describing your research background and interests.

Graduate student: TIFR has a robust graduate program and provides a unique environment for budding researchers. The selection to the program is via an annual entrance examination held in the month of December. For more details, please refer to the graduate program page.

Junior/Senior research fellow: We have one opening for a junior/senior research fellow. The student will have an opportunity to learn about and develop electronic and vibrational structure theories of extended systems. If interested please send me an email containing (i) 200 word description of your research interests and (ii) 200 word description of your research background.