Achintya Kumar Dutta

Associate Professor

Room 380, Chemistry Bldg.
achintya@chem.iitb.ac.in
+91 22 2576 7156
Group Web Page

Educational Background:

Ph.D.; National Chemical Laboratory, Pune.

M. Sc, Vishva Bharati University.

Professional Experience:

Post-doc; Max-Plank-Institute for Chemical Energy Conversion, Germany. 

Assistant Professor, IIT Bombay (December 2017 - April 2022).

Associate Professor, IIT Bombay (April 2022 - ).
Research Interest:

I am a theoretical chemist by training. I apply laws of quantum chemistry to study chemical properties of molecules. For that purpose I develop new theories and write computer programs for their mathematical modeling. I am one of the lead authors of the popular quantum chemistry software Package ORCA. My specific research interest are :

  • Development of lower scaling wave-function based methods.
  • Physics and chemistry of anions.
  • Simulation of X-ray spectroscopy.
Publications:
Electron Attachment to DNA: The Protective Role of Amino Acids
Pooja Verma, Jishnu Narayanan S J, and Achintya Kumar Dutta
J. Phys. Chem. A 2023 ( https://doi.org/10.1021/acs.jpca.2c06624 )
Electron Attachment to Wobble Base Pairs
Jishnu Narayanan S J, Arnab Bachhar, Divya Tripathi, and Achintya Kumar Dutta
J. Phys. Chem. A 2023, 127, 457-467. ( https://doi.org/10.1021/acs.jpca.2c07469)
The performance of approximate EOM-CCSD for ionization potential and electron affinity of genetic material subunits: A benchmark investigation
Divya Tripathi and Achintya Kumar Dutta
Int. J. Quantum Chem. 2022, e26918.
A similarity transformed second-order approximate coupled cluster method for the excited states: Theory, implementation, and benchmark
Soumi Haldar, Tamoghna Mukhopadhyay and Achintya Kumar Dutta
J. Chem. Phys. 2022.
Pair Natural Orbital Equation-of-Motion Coupled-Cluster Method for Core Binding Energies: Theory, Implementation, and Benchmark
Rakesh Pant, Santosh Ranga, Arnab Bachhar and Achintya Kumar Dutta
J. Chem. Theory Comput. 2022.
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