Welcome to the Theoretical Chemistry Group


From left to right : Debashree Ghosh, Samik Bose, Baljinder Kaur Grewal, Rahul Chakraborty, Diksha Dhawan, Subarna Biswas, Paulami Ghosh.  

We aim to understand excited state processes in condensed phases and complex environments and to develop new methods that enable us to do so accurately.

1. Physical Chemistry: Our work is motivated towards understanding light-matter interaction.

2. Theory and Computational Science:  We develop and apply accurate quantum chemical methods to understand the interaction between light and coupled bio-chromophores. Electronic structure theory gives us unique tools to understand the energy states of the chromophores and their coupling to each other and therefore, gives us a glimpse into their photochemistry and photo-dynamics.

3. Developmental Works: We develop new methods to enable us to understand photo-processes. Our codes are part of Quantum Chemistry Software Q-Chem. Students with a sound knowledge of coding has opportunity to excel in this field.  

Slideshare from J. Phys. Chem. Lett. highlighting our workwww.slideshare.net/jpcoffice/jpcl-jz201446r-ghosh-presentation

View our work on hybrid QM/EFP in J. Chem. Phys. dx.doi.org/10.1063/1.4866838

Q-Chem 4.3 is out!!!


We are looking for motivated PhD and project students interested in Quantum Chemistry, Spectroscopy (Theoretical), Programming. 


Dr. Debashree Ghosh
Senior Scientist
Office: 1726, Center for Materials Characterization
CSIR-National Chemical Laboratory
Dr. Homi Bhabha Road
Pune 411008, India
Phone +91 20 2590 3052