Prof. Jayant K. Singh


Dr. Jayant K. Singh is a professor at IIT Kanpur in the Department of Chemical Engineering and also the head of Department of Chemical Engineering.


Prof. Singh did his B.Tech in chemical engineering from IIT Kanpur in 1997. He subsequently earned his M.S. degree in computer science and engineering, in 2002, and Ph.D. in chemical engineering, in 2004, in the area of molecular simulation from SUNY Buffalo, USA. Currently, he holds Poonam and Prabhu Goel Chair Professor in the Department of Chemical Engineering.

Prof. Singh 's current research interest is in material modelling, machine learning, self-assembly, energy storage, wetting transition, selective adsorption and development of novel molecular simulations tool. He has provided significant insights into the phase equilibria and interfacial behaviour of bulk fluids and fluids confined in nanopores using statistical mechanics and molecular simulations. He also heads the Computational Nanoscience Laboratory & Laboratory for Interfacial Science at IIT Kanpur that works on understanding and development of new materials for energy, environment and health applications.

Prof. Singh's desire to innovate disruptive product has led him to found Prescience Insilico Pvt. Ltd, in 2019, for translating the methods and framework for the next generated accelerated drug and material discovery using physics-based methods.

He has been a Visiting Professor at University Darmstadt, Germany, Okayama University, Japan, University of Porto, Portugal, Technical University Darmstadt, Germany, Vanderbilt University, Nashville, NTU, Singapore.

Achievements and Honors

  • Fellow, National Academy of Sciences, India, 2021
  • Recipient of Herdillia Award 2021 for "Excellence in Basic Research in Chemical Engineering" by Institute of Chemical Engineers.
  • Poonam and Prabhu Goel Chair Professorship, IITK (2021-2024)
  • SERB-STAR in the Engineering Sciences, 2020
  • Member of Editorial Board, ACS Omega 2018-2020
  • Mr and Mrs Gian Singh Bindra Chair Professor 2017-2020
  • JSPS Invitation Fellowship 2017
  • Associate Editor, Chemical Engineering Communication 2016-2020
  • Guest Editor, Special Issue, Molecular Simulation 2014
  • Class of 1970 Research Fellowship, IIT Kanpur 2013-2016
  • Member of Editorial Board, The Scientific World Journal 2012-2017
  • Humboldt Research Fellowship for Experienced Researchers 2012
  • Elected as Member, National Academy of Sciences India (NASI) 2011
  • Amar Dye-Chem Award, IIChE 2010
  • Indian National Academy of Engineering (INAE)
  • Young Engineer Award 2009
  • DST-BOYSCAST Fellowship, DST 2008
  • IIT Kanpur Reach Symposium Award , 2007
  • Research Fellow, School of Chemical and Biomedical Engineering,
  • Nanyang Technological University, Singapore, 2007
  • Department of Atomic Energy BRNS Young Scientist Award 2006
  • Intl conference on Properties and Phase Equilibria for Product and Process Design support for graduate student 2004
  • New York State-GSEU Professional Development Award 2003