In a board, my research focuses on materials modelling for oxide growth (material degradation), energy conversion, and storage using the avant-grade computational method. More specifically on:

• Random structure search 

• Solar fuel production, photocatalyst- water Splitting

• Catalytic reaction mechanism (HER, OER, ORR, CO2 reduction)

• Hybrid perovskites solar cell-structural modification and stability

• Organic crystal structure search for organic green battery

• Thermodynamics and kinetics of battery/supercapacitor material

• Oxide growth: Formation and transport of cationic and anionic defects in the oxide 

• Diffusion through metal-oxide interface and grain-boundary

• 2D Materials, 3D porous structures