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.
STOMP is a suite of numerical simulators for solving problems involving coupled flow and transport processes in the subsurface. The suite of STOMP simulators is distinguished by application areas and solved mathematical equations.