Our Science in a nutshell

Materials Modeling for Energy Harvesting using cutting edge computational methodology is the prime focus of my research. The specific research interests are as follows:

• Hybrid Perovskites and Ultra-thin Solar Cells
• Development of Density Functional Theory (DFT) Codes for Solid-Liquid Interfaces and Transition Pathways
• Solar Hydrogen and Thermal Fuel: Catalytic Mechanisms (HER/OER/ORR)
• Efficient Materials for Batteries and Hybrid Super-capacitors
• Time-Dependent Density Functional Theory (TDDFT) Based Optical Properties of Semiconductor Nano-structures
• Phonon-Based Stability (Dynamical) and Defect Formation Mechanisms
• High Pressure-Driven Physical and Chemical Phenomena