Sponsored Projects
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10. Structure and Ion Transport in Electrolytes for Potassium-ion Battery from Molecular Dynamics Simulations, CSIR,2023-2026, PI
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9. Understanding the mechanism of molecular dissociation for the generation of renewable fuel through the computational catalysis approach, ANRF, 2023-2026, PI
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8. Ionic Transport, Solvation and Interfacial Structure of Electrolytes for Batteries, ANRF, 2022-2025, PI
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7. Computational Design of Nonflammable and Highly Conductive Electrolytes for Metal-ion Batteries using HPC, NSM, 2021-2023, PI
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6. Investigation of Ionic Liquids and their mixtures as Alternate Solvents for Biomolecular Structure and Dynamics using Advanced Methods of Computer Simulations, DST, 2019-2022, PI
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5. Hydroxyl group as vibrational reporter of aqueous solutions, DST, 2017-2021, PI
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4. First principles approach to structure, reactivity and spectroscopy of ionic liquids, DST, 2013-2016, PI
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3. Amidophosphin Borane as potential source for Hydrogen – An experimental & computational approach, MNRE, 2013-2016, Co-PI
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2. 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, 2012-2015, PI
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1. Molecular dynamics studies of hydrated ionic liquids and their biosolvation nature, CSIR, 2012-2015, PI
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