The Computational and Theoretical Chemistry Institute (CTCI) aspires to establish a premier international center for chemistry and materials science software at extreme scales.

The Ion Dynamics in Radioactive Environments and Materials (IDREAM) Energy Frontier Research Center (EFRC) conducts fundamental science to support innovations in retrieving and processing high-level radioactive waste.

FEMP's operations and maintenance (O&M) resources offer federal agencies technology- and management-focused guidance to improve energy and water efficiency and ensure safer and more reliable operations.