Prof. Suman Chakrabarty is a Professor in the Department of Chemical and Biological Sciences at S. N. Bose National Centre for Basic Sciences (SNBNCBS), Kolkata. His research operates at the intersection of theoretical physical chemistry, computational molecular biophysics, and data science, with a focus on understanding the molecular basis of biological phenomena through statistical mechanics and advanced molecular simulations.

He received his Ph.D. from the Indian Institute of Science, Bangalore (2010) under Prof. Biman Bagchi, and conducted postdoctoral research (2009–2012) at the University of Southern California with Prof. Arieh Warshel (2013 Nobel Laureate in Chemistry), focusing on charge transport in membrane-protein systems. He held a prestigious Ramanujan Fellowship from DST, India at CSIR-National Chemical Laboratory, Pune (2013–2017), followed by a faculty position at NISER-Bhubaneswar, before joining SNBNCBS in 2018.

His group has developed several in-house computational tools — PathGennie (rare-event pathway generation via direction-guided adaptive sampling), WeTICA (weighted-ensemble enhanced sampling guided by nonlinear collective variables), IceCoder (phase identification via variational autoencoder), PPIscout (protein–protein interaction hotspot mapping), and MTAN-ADMET (multi-task adaptive neural network for pharmacokinetics prediction) — applied to protein allostery, cryptic pocket identification, phase transitions, and drug discovery.

• Ph.D. (2010) — Indian Institute of Science, Bangalore
  Advisor: Prof. Biman Bagchi
  Thesis: Computer simulation studies of dynamics of phase transition in soft-condensed matter: isotropic-nematic, gas-liquid, and polymer collapse
• M.S. by Research (2002–2005) — Indian Institute of Science, Bangalore (integrated Ph.D. programme)
  Advisor: Prof. Biman Bagchi
  Project: Theoretical studies into model liquid crystalline system and preferential solvation in binary mixture
  CGPA: 7.0/8.0 (First division with distinction); Rank 1
• B.Sc. Honours in Chemistry (1999–2002) — Presidency College, Kolkata, University of Calcutta
  Major: Chemistry; Auxiliary: Physics and Mathematics — 75% (First class)

• Professor (July 2025 – present)
  Department of Chemical and Biological Sciences, S. N. Bose National Centre for Basic Sciences, Kolkata
• Associate Professor (May 2021 – June 2025)
  Department of Chemical and Biological Sciences, SNBNCBS, Kolkata
• Assistant Professor (May 2018 – May 2021)
  Department of Chemical, Biological and Macromolecular Sciences, SNBNCBS, Kolkata
• Reader-F (June 2017 – May 2018)
  School of Chemical Sciences, National Institute of Science Education and Research (NISER), Bhubaneswar
• Ramanujan Fellow (July 2013 – June 2017)
  Physical and Materials Chemistry Division, CSIR-National Chemical Laboratory, Pune
• Quick Hire Fellow (September 2012 – June 2013)
  Physical and Materials Chemistry Division, CSIR-National Chemical Laboratory, Pune
• Postdoctoral Researcher (September 2009 – June 2012)
  University of Southern California, USA
  Advisor: Prof. Arieh Warshel (2013 Nobel Laureate in Chemistry)
  Focus: charge transport in membrane-protein systems; structure–function correlation in biomolecules

• Dr. APJ Abdul Kalam HPC Award 2025 — Category: Researcher, R&D in HPC Applications
• CRSI Bronze Medal Award 2025 — Chemical Research Society of India
• Travel Award, Biophysical Society, USA (2019) — Annual Meeting of the Biophysical Society
• Ramanujan Fellowship (2013–2018) — Department of Science and Technology (DST), India
• Burg Postdoctoral Teaching Award (Spring 2011) — Department of Chemistry, University of Southern California, USA

• ARG MATRICS — Anusandhan National Research Foundation (ANRF), India
  Grant No.: ANRF/ARGM/2025/002124/TS  •  Duration: 5 years (2026–2031)
  Development of weighted ensemble based enhanced sampling methods for quantitative estimation of rare event kinetics from molecular simulation

• Computational Methods in Physics (PHY 407) post-BSc course at SNBNCBS, Kolkata
• Study of Bio-Macromolecules (CB 640) post-MSc course at SNBNCBS, Kolkata
• Numerical Methods (CB 621) post-MSc course at SNBNCBS, Kolkata
• Theory of Chemical Rate Processes (C402) undergraduate course in NISER, Bhubaneswar
• Mathematical Methods for Chemists (C207) undergraduate course in NISER, Bhubaneswar
• Advanced Physical Chemistry (NCL 201) course in CSIR-NCL, Pune
• Basic Mathematics and Numerical Methods (NCL 103) course in CSIR-NCL, Pune