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.

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

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.

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.

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

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

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

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.

Replacing commercial acid with acidic waste enables researchers to improve nickel extraction efficiency, lower projected costs, and improve process economics.

RemPlex 2025 Global Summit on Environmental Remediation attendees share knowledge about cleanup and monitoring of complex sites worldwide; more than 100 presentations are posted online.

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.

Studying a series of rare earth element compounds revealed differences in their magnetic behavior that will be leveraged for separations.

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

A new patent-pending technology can quickly identify refrigerant leakage in heating, cooling, and refrigeration systems.

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