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Jayant K Singh

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Jayant K Singh
Born03 February 1975 (age 46)
Bihar, India
🏳️ NationalityIndian
🎓 Alma materIndian Institute of Technology Kanpur
University at Buffalo
💼 Occupation
Known forStatistical mechanics and molecular simulations
🏅 AwardsSERB-STAR Award[1] (2019)
Amar Dye-Chem Award[2] (2010)
INAE Young Engineer Award (2009)[3]
BRNS Young Scientist Award[4] (2006)
🌐 Website
🥚 TwitterTwitter=
label65 = 👍 Facebook

Jayant K Singh (born 3 February 1975) is an Indian Professor of chemical engineering[5] and holds Poonam and Prabhu Goel Chair at the Indian Institute of Technology Kanpur. Prof. Singh is known for his studies on molecular simulations and statistical mechanics. He has contributed to the development of thermophysical properties of molecular fluids at nano-scale.


Jayant K. Singh, born on 3 February 1975 in the Indian state of Bihar. Prof. Singh received his B.Tech degree in chemical engineering from Indian Institute of Technology Kanpur (IIT Kanpur), India in 1997. Subsequently, he spent one year at Bechtel India as a process engineer from 1997-1998. Jayant received M.S. degree in computer science and engineering from University at Buffalo in 2002 and two years later obtained his Ph.D. in Chemical Engineering from the same university. On his return to India in 2004, Prof. Singh joined in General Motors India Science Lab as a research scientist. In the meantime, he accepted an offer for a faculty position in Chemical Engineering from IIT Kanpur and joined the Institute in December 2005 as an assistant professor. He held Mr. and Mrs. Gian Singh Bindra chair professorship during 2017-2020 and currently he holds Poonam and Prabhu Goal Chair Professor. He is the Dean of Resources and Alumni[6] at the Indian Institute of Technology Kanpur. He also served as Nodal coordinator of National Super Computing, associate dean of academic affairs and head of the centre for continuing education at IIT Kanpur. Jayant has had various stints abroad as a visiting professor at the School of Chemical and Biomolecular Engineering, Vanderbilt University (2009), Department of Physical Chemistry, Technical University Darmstadt, Germany (2012), Laboratory of Engineering Thermodynamics (LTD), University of Kaiserslautern (2016), Department of Chemistry, University of Porto, Portugal (2016), Department of Chemistry, Okayama University, Japan (2017). Prof. Singh has held several other research fellowships including the DST-BOYSCAST Fellowship (2008), Humboldt Research Fellowship for Experienced Researchers (2012) and JSPS Invitation Fellowship (2017).


Prof. Singh 's research focuses on the development of novel molecular simulations tool[7], ice nucleation[8], material modelling[9], self-assembly[10], wetting transition[11], selective adsorption[12] and machine learning approaches[13]. His group is involved in developing free-energy perturbation methods for calculating thermodynamics properties. Prof. Singh research has been documented by more than 150 peer-reviewed articles, reviews and book chapters[14]. He is also an associate editor of Chemical Engineering Communications and member, editorial advisory board of Fluid Phase Equilibria, ACS Omega, ACS Chemical Engineering Data.

Awards and recognition[edit]

SERB Science and Technology Award for Research (SERB-STAR)[1] in 2019
Alexander von Humboldt Research Fellowship[15] in 2012
Amar Dye Chem Award of IIChE[2]Amar Dye Chem Award of IIChE for Excellence in Basic Research and Development in Chemical Engineering</ref> in 2010
Indian National Academy of Engineering (INAE) Young Engineer Award[3]in 2009
Department of Atomic Energy BRNS Young Scientist Award[4] in 2006

Selected bibliography[edit]


  • Singh JK and Verma N, Aqueous Phase Adsorption: Theory, Simulations and Experiments, CRC Press, ISBN 978-1138575219 (2019)[16]


  • Verma N, Singh JK and Sharma AK, Polymeric nanocomposites and methods for their preparation and use, US Patent: US Patent 20150267011[17]
  • Sharma AK, Singh JK and Verma N, Preparation of activated carbon fibers/carbon nanofibers dispersed PVA nanocomposite material for lithium ion electrolyte battery separator (Indian patent No: -IN-839267-01-IN-REG)
  • Singh JK, Srivastava P, Sahu CS, Srivastava A, Chand T and Kumar V, Handheld device for measuring the nutrients of soil (Indian Patent Submitted)


  1. 1.0 1.1 SERB-STAR Awardees Science and Technology Award for Research 2019
  2. 2.0 2.1 Amar Dye Chem Award of IIChE for Excellence in Basic Research and Development in Chemical Engineering
  3. 3.0 3.1 INAE Recipients Young Engineer Award
  4. 4.0 4.1 BRNS Young Scientist Award 2006
  5. Professor at Department of Chemical Engineering, IIT Kanpur
  6. Dean of Resources and Alumni at IIT Kanpur
  7. Prof. Singh's group home page Indian Institute of Technology Kanpur
  8. Amrita, G.; Indranil, S. D.; Jayant, K. S. (2021) "Universal Nucleation Behavior of Sheared Systems"., Physical Review Letters. 126: 195702. doi:10.1103/PhysRevLett.126.195702.
  9. Vivek, K. Y.; Showkat, H. M.; Mishra, B. V.; Gopakumar, T. G.; Jayant, K. S. (2020) "A simple molecular design for tunable two-dimensional imine covalent organic frameworks for optoelectronic applications"., Physical Chemistry Chemical Physics 22: 21360-21368. doi: 10.1039/d0cp02961k
  10. Parul K.; Jayant, K. S. (2019) "Evaporation induced self-assembly of different shapes and sizes of nanoparticles: A molecular dynamics study"., Journal of Chemical Physics. 150: 044708. doi:10.1063/1.5053974.
  11. Atanu K. M.; Sandip K.; Jayant, K. S. (2014) "Wetting Transition of the Ethanol–Water Droplet on Smooth and Textured Surfaces"., Journal of Physical Chemistry C. 118 (8): 4113−4121. doi:10.1021/jp4096437.
  12. Praveen, K. S.; Jayant, K. S. (2020) "Molecular Dynamics Study on the Adsorption of UO22+ from an Aqueous Phase: Effect of Grafting Dibenzo Crown Ether and Dicyclohexano Crown Ether on the Polystyrene Surface"., Journal of Chemical & Engineering Data. 65: 1051−1059. doi:10.1021/acs.jced.9b00462
  13. Prosun, H.; Jayant, K. S. (2020) "High-throughput screening of metal–organic frameworks for ethane–ethylene separation using the machine learning technique"., Energy Fuels. 34 (11): 14591–14597. doi:10.1021/acs.energyfuels.0c03063
  14. Google Scholar profile of Prof. Jayant K Singh
  15. Alexander von Humboldt Research Fellowship for Experienced Researchers
  16. Aqueous Phase Adsorption: Theory, Simulations and Experiments ISBN 978-1138575219
  17. Polymeric nanocomposites and methods for their preparation and use US Patent 20150267011

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