A new approach combining computational processes enables the more accurate simulation of nuclear quantum effects in molecular systems.

David Heldebrant was selected for the 2025 Distinguished Service Award from the American Chemical Society Division of Energy & Fuels, recognizing his impact to energy and fuels chemistry.

Micron and PNNL co-design the Crete computer system, delivering a new memory architecture for data-intensive scientific computing and AI applications.

The first direct molecular-scale evidence of the temperature-driven transformation of the coordination environment of ytterbium at geologically relevant conditions.

This summer, scientists at PNNL led discussions on their latest research related to artificial intelligence and One Health at the Health and Environmental Sciences Institute conference.

Delivering an integrated quantum-mechanical and experimental perspective on the effects of both intrinsic and externally applied electric fields at atomic-scale interfaces.

PNNL showcased its expertise in AI, machine learning, and related domains at the International Conference on Machine Learning.

Aaron Luttman and Jonathan Forman represented PNNL at the high-profile "Risk and Reduction Science and Policy Forum" organized by Johns Hopkins University and supported by the Defense Threat Reduction Agency.

The size of graphene oxide sheets affects the ability of assembled membranes and adsorbents to separate rare earth elements.

After isolating copper hydride monomers, researchers identified the mechanistic details of catalyst aggregation and cluster formation.

Scientists have tapped AI and powerful computing to speed up how quickly officials are able to learn important details about nuclear events.

The Department of Energy Art of Science contest entry focuses on the extraordinary universe of chemical bond making and breaking under irradiation.

Trace amounts of iron and chromium can incorporate into gibbsite, affecting how the mineral dissolves.

Quantum computing promises leaps in chemistry and materials science, and PNNL is preparing to realize its potential with a collaborative approach.

Experiments focus on catalysts for off-road vehicles that optimize the use of critical minerals while lasting longer and costing less.

Christina Lomasney moderates panel on commercialization pathways for emerging artificial intelligence and high-performance computing technologies.

Isotopically layered water films and slow heating enable diffusion tracking.

PNNL has created and licensed a system that sniffs out trace levels of fentanyl, other drugs and explosives through the air.

Properly identifying iodoplumbate species that are present and stable in a perovskite precursor solution is vital. New research offers insight into reactivity and dynamical processes in solution and the chemical properties of precursors.

A new time-dependent wavefunction formulation for the cumulant Green’s functions can produce more accurate simulations.