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 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.
The QuAADS Initiative seeks to develop the computing processes, tools, and knowledge to transition from current technologies to quantum computing technologies by leveraging codesign and hybrid computing approaches.
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.
The Institute for Quantum Science brings together PNNL's expertise to develop the science, tools, and workflows needed to operate quantum systems as scientific instruments for DOE mission science.