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

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.

The Molecular Observation Network is a national open science network designed to produce a comprehensive database of molecular and microstructural information on soil, water, microbial communities, and biogenic emissions.