Researchers at PNNL are sharing work grounded in One Health, which connects human, animal, plant, and environmental data to improve situational awareness, early warning, and decision-making.

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.

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.

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 new report highlights a public workshop hosted by the National Academies Forum on Microbial Threats and features PNNL's Lauren Charles and the AI-Driven One Health Security program.

Integrating new functions into a genome-scale model enabled researchers to simulate and experimentally validate viral hijacking pathways.

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

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.

An approach combining multiple theories increases the accuracy of quantum-based simulations without increasing computational demands.

IDREAM researchers uncovered how dimeric complexes control how aluminum hydroxide minerals dissolve.

Scientists provide a guide for the rational application of continuum descriptions of fluid flows based on interfacial chemistry.