Jayant K. Singh

PhD (SUNY Buffalo)

Professor, Department of Chemical Engineering


Research Interest



  • PhD, Chemical and BiologicalEngineering,UB, SUNY at Buffalo, 2004
  • M.S., Computer Science and Engineering, UB, SUNY at Buffalo, 2002
  • B.Tech, Indian Institute of Technology, Kanpur, 1997



  • Thermodynamics, Satistical Mechanics, Mass Transfer, Molecular Simulation

  • Cummings PT, Dotcherty H, Cristopher C, and Singh JK, Phase transition in nanoconfined fluids: The evidence from theory and simulations. (Perspective/Cover Article), American Institute of Chemical Engineers Journal, 56,842-848, 2010.

  • Singh SK, Saha A and Singh JK, A Molecular Simulation Study of Vapor-Liquid Critical Properties of a Simple Fluid in Attractive Slit Pores: Crossover from 3D to 2D, J. Physical Chemistry B, 114, 4283-4292, 2010.

  • Singh JK and Muller-Plathe F, On the characterization of crystallization and ice adhesion on smooth and rough surfaces using molecular dynamics Applied Physics Letter, 104, 021603, 2014

  • Singh SK, Sinha A, Deo G, and Singh JK, Vapor-liquid phase coexistence, critical properties and surface tension of confined alkanes, Journal of Physical Chemistry C, 113, 7170-7181, 2009.

  • Singh JK and Kwak SK, Surface tension and vapour-liquid phase coexistence of confined square-well fluid , Journal of Chemical Physics, 126, 024702:1-8, 2007.

Technology Developed

  • Sharma AK, Singh JK and Verma N, Preparation of activated carbon fibers/carbon nanofibers dispersed PVA nanocomposite material for lithium ion electrolyte battery separator (US patent No: -IN-839267-01-IN-REG, Filed 2012)

  • Generic Monte Carlo software for molecular system

  • Research Scientist, General Motors India Science Laboratory, 2004-2005.

  • Department of Atomic Energy BRNS Young Scientist Award, 2006.

  • DST BOYSCAST Fellowship, 2009.

  • Indian National Academy of Engineering (INAE) Young Engineer Award, 2009.

  • Amar Dye Chem Award of IIChE, 2010.

  • Alexander von Humboldt Research Fellowship, 2012.


Department of Chemical
Labs addresses: NL II 202
IIT Kanpur,
Kanpur 208016

Office Phone: 0512-259-6141 (O)

Labs phone: 0512-259-7017

Email: jayantks[AT]iitk.ac.in

Molecular Simulation, Adsorption and separation, nanoparticle


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