the BSM lab @ IIT Hyderabad |
Thesis: Constant-Potential Atomistic Simulations of Electrochemical Nitrogen Reduction at Electrode-Electrolyte Interfaces(submitted) Publication: 8 
Thesis: A Multiscale Modeling Study of Solvation Energetics and Heterogeneous Transport Dynamics in Potassium-Ion Electrolytes Publication: 6 
Thesis: Computational modeling of the structure and dynamics of cathode materials for metal-ion batteries Publication: 11 
Thesis: Computational Catalytic Studies of Oxygen Evolution Reaction on Heterosurfaces Publication: 24 Postdoc, Pacific Northwest National Laboratory(PNNL), USA 
Thesis: Molecular Dynamics Simulation-guided Spectroscopy of Infrared Probes Assessing Structure and Dynamics of Ionic Liquids Publications: 17 Present: Postdoc, University of Delaware, USA 
Thesis: Structure and ion transport in electrolytes for energy storage devices from classical molecular dynamics simulations Publications: 7 Present: Assistant Professor, Vijaybhoomi School Of Science, Maharashtra, India 
Thesis: First Principles Molecular Dynamics Studies of Mechanistic Insights into the Catalytic Oxygen Evolution Reactions Publications: 17 Present: Assistant Professor, VIT-AP University 
Thesis: Ionic Liquids as Alternative Solvents to Assess the Structure and Dynamics of Bio-relevant Molecules from Advanced Sampling Methods Publications: 10 Present: Assistant Professor (Chemistry), SR University 
Thesis: Computer Simulations of Structure and Dynamics of Ionic Liquids and their Mixtures with Molecular Solvents Publications: 15 Present: Designated Assistant Professor, Okayama University, Japan 
Thesis: Computational study of structure, dynamics and spectral signature of water molecules around neutral and charged solutes Publications: 16 Present: Postdoc, cuola Normale Superiore, Italy
|
