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

PNNL administers two research buoys for the U.S. Department of Energy that allows collection of wind meteorological and oceanographic data off the nation's coasts.

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.