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.

Pacific Northwest National Laboratory has pioneered the use of observational research for evaluating energy efficient technologies in the built environment.

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.