Uncovered the molecular basis of nitric acid speciation across dilute and concentrated solutions and identified competing hydration-shell rearrangements around lanthanide ions at the dilute limit.

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

Yong Wang’s joint appointment connects PNNL, WSU, and the next generation of scientists.

Demonstrated that cathodic potential accelerates aqueous phase benzaldehyde hydrogenation.

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.

Using multiple specialized techniques, IDREAM researchers gained a better understanding of how trace impurities within gibbsite affect the hydrogen yield.

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

The availability of non-f electrons drives the reaction energies of actinide hydrides.

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

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.

Developed a method for selectively anchoring diverse divalent metal cations in zeolites, important for precise control over catalytic materials.

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

Developed a simple kinetic framework for evaluating catalyst hydride transfer ability.

PNNL has formed a partnership with the Orlando-based firm Refinity, which has licensed a key process from PNNL that will help the company convert mixed plastic waste into valuable industrial products like chemicals, plastics, and fuels.

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

At the summit, PNNL engaged with partners and investors, highlighting seven projects that accelerate the deployment of new energy technologies.

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

The underlying crystal structure of carbonate surfaces plays a key role in the formation of cobalt mineral structures on these surfaces.