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.

The Isotope Program at PNNL supports scientific advances in the production and use of radioisotopes for research, medicine, and industrial applications.

Advancing the understanding and monitoring of nuclear material processing to accelerate development and qualification of new material systems for national security and nuclear energy.

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.