Research Interest

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Modern Battery Electrolytes:

  • Solid-electrolyte Interphase (SEI): Mechanism of Formation and Composition
  • Intercalation-deintercalation of Electrolyte Species in Nanoscale Confinement
  • Li-ion based Battery Electrolytes
  • Solvent-in-salt Electrolytes (SiSE)
  • Water-in-salt Electrolytes (WiSE)
  • WiS-IL Hybrid Electrolytes (WSHE)
  • Na-ion based Battery Electrolytes

Biomembranes/Vesicles/Biomaterials:

  • Effect of Small Molecules/Ionic Liquids on Biomimetic Homogeneous and Heterogeneous Membranes
  • Antibacterial Activity of Solvents/Polymers/Nanosheets
  • Ion Transport through Transmembrane Proteins (Ion-channel)
  • Interaction of Plasma membrane with Bacterial membranes

Deep Eutectic Solvents:

  • Microstructures of DESs
  • Impact of Hydration on the Microstructure of DESs
  • DESs as Capturing Agents for Flue/Anthropogenic Gases
  • Structure and Dynamics of Hydrophobic DESs
  • Role of DESs and their Hydration on the Structural Changes and Stability of Proteins
  • Application of HDESs in Extraction Process

Theoretical and Computational Techniques:

  • Atomistic Molecular Dynamics Simulations
  • Ab initio Molecular Dynamics Simulations
  • Coarse-grained Molecular Dynamics Simulations
  • Development/refinement of force-fields
  • Wetting-Dewetting Behavior, Capillary Evaporation
  • Charge Transport and X-ray/Neutron Scattering Structure

Ionic Liquids:

  • Bulk/interfacial/confinement structural studies of traditional ILs
  • Bulk and Interfacial Structure of Bio-ILs



















© 2024; Hemant Kumar Kashyap, Department of Chemistry
Indian Institute of Technology Delhi