Multiscale Molecular Modelling |
Thesis: Computational Catalytic Studies of Oxygen Evolution Reaction on Heterosurfaces Publication: 15 Postdoc, Florida A&M University, USA Thesis: Molecular Dynamics Simulation-guided Spectroscopy of Infrared Probes Assessing Structure and Dynamics of Ionic Liquids Publications: 17 Present: Postdoc, University of Wisconsin-Madison, USA Thesis: First Principles Molecular Dynamics Studies of Mechanistic Insights into the Catalytic Oxygen Evolution Reactions Publications: 17 Present: Postdoc, Michigan Technological University, USA Thesis: Structure and ion transport in electrolytes for energy storage devices from classical molecular dynamics simulations Publications: 7 Present: Assistant Professor, INSOFE, Hyderabad Thesis: Ionic Liquids as Alternative Solvents to Assess the Structure and Dynamics of Bio-relevant Molecules from Advanced Sampling Methods Publications: 10 Present: Postdoc, University of Waterloo, Canada Thesis: Computer Simulations of Structure and Dynamics of Ionic Liquids and their Mixtures with Molecular Solvents Publications: 15 Research excellence award in 2021, IITH Present: Postdoc, University of Tokyo, Japan Thesis: Computational study of structure, dynamics and spectral signature of water molecules around neutral and charged solutes Publications: 16 Present: Postdoc, University of California, Riverside, USA
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