The Computational and Theoretical Chemistry Institute (CTCI) aspires to establish a premier international center for chemistry and materials science software at extreme scales.

The Ion Dynamics in Radioactive Environments and Materials (IDREAM) Energy Frontier Research Center (EFRC) conducts fundamental science to support innovations in retrieving and processing high-level radioactive waste.

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's Ocean Dynamics Modeling group studies coastal processes such as marine-hydrokinetic energy, coastal circulations, storm surge and extreme waves, tsunamis, sediment transport and nutrient-macroalgal dynamics.