Research

Research

Research

Title Area of Research Timeline (Start year) Timeline (End year)
Decoding the mechanism of formation & composition of Solid Electrolyte Interphase (SEI) in ionic liquids-based Li-Ion batteries by employing combined ab initio & All-atom molecular dynamics simulations Chemical Sciences 2019
Beyond born - Oppenheimer approaches on spectroscopy, reactive & surface scattering Chemical Sciences 2019
Ion exchange membranes from imidazole based polymers Chemical Sciences 2019
Tandem catalysis on acyclic & cyclic heteroatom stabilized singlet carbene transition metal platforms for constructing complex structural motifs Chemical Sciences 2019
Combating malaria by inhibiting the action of plasmepsin-V- Physico-chemical insights Chemical Sciences 2019
Decoding the mechanism of photochemical & electrochemical splitting of water & CO2 reduction using theoretical approaches Chemical Sciences 2019
Selective adsorption & superprotonic conduction properties by hydrolytically and/or moisture stable porous coordination networks Chemical Sciences 2019
Investigating asymmetric mixed surfactant bilayers using dual scale simulations to correlate bilayer properties with thermodynamics of asymmetry Chemical Sciences 2019
Molecular basis of structural/conformational change of protein, membranes & DNA damage induced by fungicides- Investigation by state of art vibrational sum frequency generation & other spectroscopic techniques Chemical Sciences 2019
Investigating the correlation between thermodynamic & kinetic parameters through Density Functional Reactivity Theory (DFRT) based approach Chemical Sciences 2019

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