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.
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.
PNNL is heavily engaged in the development and use of mass spectrometry technology across its science, energy, and security missions, from fundamental research through mature operational capabilities.