Dr. Suman Chakrabarty has moved to School of Chemical Sciences, NISER Bhubaneswar w.e.f. 12th June, 2017.

For future updates, please visit: 



Research area:

  • Theoretical and Computational (Bio)Physical Chemistry

  • Multi-scale modeling and computer simulations of complex systems

  • Statistical Mechanics

  • Rare event simulations and free energy calculations

Current interests:

  • Hydrophobic effects, and phase transition related phenomena in soft-condensed matter systems

  • QM/MM study of chemical reactions in solution and enzyme catalysis

  • Protein electrostatics: pKa calculation, solvation energy, binding energy

  • Biomimetic design of functional materials: with focus on ion channels, aquaporins etc.

Our group in Mahabaleshwar (March, 2015):












From left: Amit, Suman, Vrushali and Neharika


Dr. Suman Chakrabarty
Ramanujan Fellow
Physical and Materials Chemistry Division
National Chemical Laboratory
Dr. Homi Bhabha Road
Pune 411008, India