Hemant K Kashyap

Hemant K Kashyap

Assistant Professor

Born: Ghazipur, Uttar Pradesh
Ph.D.: S. N. Bose National Centre for Basic Sciences (Jadavpur Univ.), Kolkata, India
Post Doctoral Fellow: University of Iowa, Iowa City, USA
Post Doctoral Fellow: Institute for Computational Molecular Science, Philadelphia, USA
Assistant Professor: Indian Institute of Technology Delhi, New Delhi, Dec. 2013–present

Group Webpage

Research Interests

Our research work focuses on structure and dynamics of soft condensed matter such as room-temperature ionic liquids, electrolyte solutions, room-temperature polar & non-polar liquids and lipid-membranes. We use state-of-the-art computer simulations, including all-atom, coarse-grained and ab-initio molecular dynamics, and apply principles of various theoretical techniques to elucidate the physicochemical properties of these systems.

    Selected Publications

  1. 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).
  2. 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).
  3. Shobha Sharma and Hemant K. Kashyap, Structure of Quaternary Ammonium Ionic Liquids at Interfaces: Effects of Cation Tail Modification with Isoelectronic Groups, J. Phys. Chem. C 119, 23955 (2015).
  4. Aditya Gupta, Shobha Sharma and Hemant K. Kashyap, Composition Dependent Structural Organization in Trihexyl(tetradecyl)phosphonium Chloride Ionic Liquid - Methanol Mixtures, J. Chem. Phys. 142, 134503 (2015).


        Group Members

    Ph.D. Students
  • Shobha Sharma (UGC JRF)
  • Pratibha Kumari (Institute JRF)
  • Aditya Gupta (UGC JRF)
  • Supreet Kaur (UGC JRF)
  • Vikas (UGC JRF) Jointly with IOCL