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


Bio-sketch

  • Associate Professor (08/2018-present) : Department of Chemistry, Indian Institute of Technology Delhi, New Delhi, India
  • Assistant Professor (12/2013-08/2018) : 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
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).