Our group, at Microelectronics Research Center, has research interests in simulation based approaches to understand atomic-scale materials properties relevant for device applications that include effects of dielectric, substrate, contacts, dopants and defects. We use numerical methods that range from atomic orbital based to plane-wave or mixed orbital based numerical approaches implemented within density functional theory and beyond. The supercomputing resources of National Science Foundation at Texas Advanced Computing Center and Department of Energy leadership computing facility at Oak Ridge National Lab is utilized for our numerical calculations. Our research problems are often motivated by experiments in the center as well as in other labs.

Recent research interests of the group include, but not limited to, graphene or stacks of graphene, topological insulators and magnetoelectric materials. These novel materials can be the enablers of next digital revolution in 2019-2020, according to industry expectations.