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

PNNL’s integrated software systems (FRAMES, MEPAS, MetView, APGEMS, CAPP) allow users to assess the environmental fate and transport of contaminants—and the potential impacts on humans and the environment—in a systematic, holistic approach.

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.

A software suite for working with neutron activation rates measured in a nuclear fission reactor, an accelerator-based neutron source, or any neutron field to determine the neutron flux spectrum using a generalized least-squares approach.