The Computational and Theoretical Chemistry Institute (CTCI) aspires to establish a premier international center for chemistry and materials science software at extreme scales.
The Data-Model Convergence (DMC) Initiative is a multidisciplinary effort to create the next generation of scientific computing capability through a software and hardware co-design methodology.
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 Institute for Integrated Catalysis (IIC) at Pacific Northwest National Laboratory explores and develops the chemistry and technology of catalyzed processes that enable a carbon-neutral future.
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.
