He is also in charge of the Supercomputing Center at SRM University. He is an Associate of Indian Academy of Sciences. He is an active member of Asian Consortium on Computational Materials Science (ACCMS). His research work is primarily focused on first-principles investigation of low-dimensional materials and Pt-less catalysts and exploring the properties of carbon allotrope for energy applications. His main contributions are in bond exchange spillover mechanism, electron doped 2D system as metal-free catalyst, the origin of surface magnetism in graphene, inverse catalyst and π electron-based descriptor. He was selected as an Associate of the Indian Academy of Sciences in 2016.