Dr. Hemant K Kashyap
Theoretical and Computational Chemistry
Department of Chemistry
Indian Institute of Technology Delhi


Bio-sketch

  • Assistant Professor (12/2013-Till date) : Department of Chemistry, Indian Institute of Technology Delhi, New Delhi, India
  • Post Doc.: Institute for Computational Molecular Science, Philadelphia, USA; Supervisor: Prof. Michael L. Klein
  • Post Doc.: The University of Iowa, Iowa City, USA; Supervisor: Prof. Claudio J. Margulis
  • Ph.D.: S. N. Bose National Centre for Basic Sciences (Jadavpur Univ.), Kolkata, India; Supervisor: Prof. Ranjit Biswas
  • M.Sc.: University of Allahabad, Allahabad, India
Research Interest

  • All-atom, Coarse-grained and ab initio Molecular Dynamics Simulations
  • Solvation Dynamics, Charge Transport and X-ray/Neutron Scattering Structure of Ionic Liquids and Mixtures
  • Structure and Dynamics of Lipid Membranes (Bilayers, Vesicles), Membrane Fusion
  • Structure and Dynamics of Deep Eutectic Solvents in Bulk and Interface
Latest News

  • 4th Oct 2017: Saurav successfully defended his thesis. Congratulations Dr. Saurav Prasad.
  • 16th Aug 2017: Gourav presented the synopsis of his thesis.
  • 9th May 2017: Debdas successfully defended his thesis. Congratulations Dr. Debdas Dhabal.
  • 25th Jan 2017: Saurav presented the synopsis of his thesis.
  • 24th Nov 2016: Debdas presented the synopsis of his thesis.


Selected Publications:

  1. Shobha Sharma and Hemant K. Kashyap, Interfacial Structure of Pyrrolidinium Cation Based Ionic Liquids at Charged Carbon Electrodes: The Role of Linear and Nonlinear Alkyl Tails, J. Phys. Chem. C 121, 13202 (2017).

  2. Debdas Dhabal, Aditya Gupta and Hemant K. Kashyap, Structural Investigation of Room-temperature Ionic Liquids and High-temperature Ionic Melts using Triplet Correlation Functions, J. Chem. Phys. 146, 094503 (2017).

  3. Supreet Kaur, Aditya Gupta and Hemant K. Kashyap, Nanoscale Spatial Heterogeneity in Deep Eutectic Solvents, J. Phys. Chem. B 120, 6712 (2016).

  4. Shobha Sharma, Aditya Gupta and Hemant K. Kashyap, How Structure of Pyrrolidinium Ionic Liquids is Susceptible to High Pressure, J. Phys. Chem. B 120, 3206 (2016).

  5. Christopher MacDermaid, Hemant K. Kashyap, Russell DeVane, Wataru Shinoda, Jeffery Klauda, Michael L. Klein, and Giacomo Fiorin, Molecular Dynamics Simulations of Cholesterol-rich Membrane Using a Coarse-grained Force Field for Cyclic Alkanes, J. Chem. Phys. 143, 243144 (2015).

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