Dr. Hemant Kumar Kashyap
Assistant Professor​​
Department of Chemistry, Indian Institute of Technology Delhi, Hauz Khas, New Delhi -110016, India


  • 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

Selected Publications:

1Structure of Quaternary Ammonium Ionic Liquids at Interfaces: Effects of Cation Tail Modification with Isoelectronic Groups; Sharma, Shobha; Kashyap, Hemant K.;  J. Phys. Chem. C Volume: 119 Issue: 42 Pages: 23955-23967 Published: 2015

2.  Composition Dependent Structural Organization in Trihexyl(tetradecyl)phosphonium Chloride Ionic Liquid - Methanol Mixtures; Gupta, Aditya; Sharma, Shobha; Kashyap, Hemant K.; J. Chem. Phys. Volume: 142 Issue: 13 Page:134503 Published: 2015

3. SAXS Anti-Peaks Reveal the Length-Scales of Dual Positive-Negative and Polar-Apolar Ordering in Room-Temperature Ionic Liquids; Kashyap, Hemant K.; Hettige, Jeevapani J.; Annapureddy, Harsha V. R.; Margulis, Claudio J.; ChemComm Volume: 48 Issue: 42 Pages: 5103-5105 Published: 2012                            

4.  Temperature-Dependent Structure of Ionic Liquids: X-ray Scattering and Simulations; Kashyap, Hemant K.; Santos, Cherry S.; Annapureddy, Harsha V. R.; Murthy, N. Sanjeeva; Margulis, Claudio J.; Castner, Jr. Edward W.; Faraday Discuss. Volume: 154 Pages: 133-143 Published: 2012

5.  Solvation Dynamics of Dipolar Probes in Dipolar Room Temperature Ionic Liquids: Separation of Ion-Dipole and Dipole-Dipole Interaction Contributions; Kashyap, Hemant K.; Biswas, Ranjit; J. Phys. Chem. B Volume: 114 Issue: 1 Pages: 254-268 Published: 2010