Switching a pendant nitrogen to phosphorous leads to an accelerated rate of carbon dioxide hydrogenation to methanol.

A new algorithmic approach breaks apart large quantum problems into smaller subproblems, enabling quantum simulation of more complex systems.

Researchers discovered that frustrated electric forces drive a novel precipitation pathway called microphase separation and identified a precursor intermediate state of ordered ion networks.

Separating quantum circuit wiring from molecular data allows researchers to more efficiently perform quantum simulations

Demonstrated that cathodic potential accelerates aqueous phase benzaldehyde hydrogenation.

Global exercise advances nuclear forensic science and investigative capabilities.

Amine functionalized graphene oxide yields laminates with an enhanced capacity to adsorb rare earth elements, improved water transport, and greater stability for effective membrane-based separation of critical minerals.

Establishing how electronic redistribution, protonation, and solvent rearrangement are coupled during a proton-coupled electron transfer process.

By selectively stabilizing either a right- or left-handed helical pose of its substrate, an enzyme tunes the final product.

Research provided definitive spectroscopic characterization, reactivity, and deactivation of a reactive monomeric diphosphine-copper hydride intermediate.

PNNL scientists were among the specialists keeping the crowds safe at the recent FIFA World Cup competition.

New software enables the study of nuclear quantum effects in large, condensed phase systems up to 10× faster than traditional methods.

Protein and water environments set the overall redox scale of iron-sulfur clusters, but local coordination geometry fine-tunes the final potential.

New theoretical framings of quantum dynamics enable better quantum-based simulation of molecular systems and dynamics.

Chiral nanotubes facilitate the direction-specific diffusion of carbon dioxide to be faster than nitrogen gas.

A suite of new modeling methods gives researchers better tools to predict molecular behavior inside cavities.

PNNL has developed a next-generation electrical resistivity tomography system for DOE that uses E4D software and AI-enhanced modeling to produce real-time subsurface images that help guide environmental remediation decisions.

Through the Air Force Education with Industry program, PNNL is forging powerful connections between research, leadership, and industry.

Localized gradients in magnetic fields have long-range effects on the concentration of rare earth ions in solution, facilitating field-driven extraction of critical minerals.

Nanosize platelets of an aluminum material slide and join in a staggered orientation to form larger crystals.