Singh's research focuses on accelerating materials discovery, synthesis, and application using first-principles theory and computations.

Nick's research group focuses on developing next-generation renewable energy devices—with a focus on printable thin-film photovoltaics and batteries—using high-throughput processing and reliability-based characterization.

Computational modeling and design for the development of environment-friendly power systems: 1.5 MW coal-natural gas co-firing boiler, 250 kg/day hydrogen production system, and 5 kW-class solid oxide fuel cell power system.