Dr. Kishant Kumar has computational as well as experimental expertise. Computational research includes Density Functional Theory, Molecular Dynamics, Monte Carlo simulations, and Machine Learning. Experimental research focuses on battery recycling, gas separation, and gas storage using porous materials and solvents.
Our group performs both experimental and computational investigations.
High-efficiency recovery of lithium and cobalt from spent LIBs.
Design and simulation of MOFs for enhanced hydrogen storage.
CO₂, H₂, N₂, CH₄ separation using porous materials.
CO₂/H₂S capture using amines, ionic liquids, and DESs.
Data-driven material discovery and property prediction.
DFT, MD, and Monte Carlo simulations for energy materials.