Our Science in a nutshell

Materials Theory and Computational Materials Physics for Energy Materials through cutting edge electronic structure calculations is the prime focus of our research. The specific research interests are as follows:

• Development of Standalone DFT based electronic structure codes for Transition Pathway Prediction and Solid-liquid Interface.
• Rashba-Dresselhaus and Excitonic Effect in Emerging Materials
• Computational High Pressure Physics, Structural and Phase Transition.
• Electron-Phonon Physics for Topological Insulators and Novel Superconductor
• Light Matter Interactions through Quantum Electrodynamical Density Functional Theory (QE-DFT).
• Structural Prediction and Invertible Neural Network based Inverse Design Approach for Materials Discovery.
• Hybrid Perovskites and Two-dimensional Ultra-thin Materials for Solar Cells.