[2013-2016] Molecular dynamics studies of hydrated ionic liquids and their biosolvation nature [CSIR, PI, Completed]
[2013-2016] Electronic, spectral and dynamical aspects of the solvation of neutral and charged solutes from first principles molecular dynamics simulations with a dispersion corrected density functional [DST, PI, Completed]
[2014-2018] First principles approaches to structure, reactivity and spectroscopy of ionic liquids [DST, PI, Completed]
[2014-2017] Amidophosphine Borane as Potential Source for Hydrogen - An Experimental and Computational Approach [MNRE, Co-PI, Completed]
[2017-2021] Hydroxyl group as vibrational reporter of aqueous solutions [DST, PI, Completed]
[2019-2022] Investigation of Ionic Liquids and their mixtures as Alternate Solvents for Biomolecular Structure and Dynamics
using Advanced Methods of Computer Simulations [DST, PI, Completed]
[2021-2023] Computational Design of Nonflammable
and Highly Conductive materials using HPC [NSM, PI, Completed]
[2022-2025] Ionic Transport, Solvation and Interfacial Interactions of Electrolytes from Computer Simulations [DST, PI, going on]
[2023-2025] Understanding the mechanism of molecular dissociation for the generation of renewable fuel through the computational catalysis approach [DST, PI, going on]
[2023-2025] Dynamics and Ionic Reactivity in Electrolytes for Li-O2 Battery [NSM, PI, going on]
[2023-2026] Structure and Ion Transport in Electrolytes for Potassium-ion Battery from Molecular Dynamic Simulations [CSIR, PI, going on]
