A foremost challenge faced by scientists and engineers is to develop new technologies for providing clean, reliable, environment-friendly energy. The overarching goal of my research endeavours is to use computational techniques encompassing atomistic (molecular dynamics, density functional theory) and continuum level (finite-element simulations) for finding next-generation materials for chemical energy storage and catalysis.

Currently, I am focusing my efforts on studying two-dimensional materials (graphene, phosphorene, ..) as they provide unique electronic and mechanical properties outside the envelope of traditional materials, owing to their large surface to volume ratios. Additionally, I work on understanding the mechanisms behind the exceptional mechanical properties of functionalize graphene (aka graphene oxide), such as strength, fracture toughness, fatigue resistance.