Directionally biased electrostatic interactions are the key to significantly tuning the reduction potential of iron/sulfur clusters.

The Center for Continuum Computing at PNNL aims to integrate cloud platforms, high-performance computing, and edge devices into a seamless ecosystem that accelerates scientific discovery.

Lauren Charles, a chief data scientist at PNNL, showcased the vital research coming out of her program at The National Academies Forum workshop in Washington, D.C., January 15–16, 2025.

Formal mathematics both reveals what’s inside the black box of AI algorithms and pushes the boundary of what’s possible within math as a discipline.

PNNL’s year in review includes highlights ranging from advancing soil science to understanding Earth systems, expanding electricity transmission, detecting fentanyl, and applying artificial intelligence to aid scientific discovery.

Federal environmental permitting process to be fast-tracked with AI-powered tools and cloud-supported data analysis.

Scientists are developing ways to detect previously unseen forms of fentanyl as well as other synthetic opioids known as nitazenes.

Calculating quantum chemistry quickly allows scientists to refine their understanding of complex chemical systems.

A team of researchers at PNNL is developing a new approach to explore the higher-dimensional shape of cyber systems to identify signatures of adversarial attacks.

Samrat (Sam) Chatterjee, a PNNL chief data scientist and team leader with the Data Sciences and Machine Intelligence group, was co-author of a CSET workshop report on agentic artificial intellilligence

PNNL computational and data scientist Mark Maupin was the team lead for a paper published in the journal Molecules.

Researchers discussed this topic at the 2024 Analog Computing for Science Workshop co-led by Antonino Tumeo.

PNNL biodefense experts seek to identify, understand and mitigate the risks of biological pathogens—whether naturally occurring or intentionally created—so steps can be taken to prepare and respond.

The Department of Energy’s Vehicle Technologies Office recognized Livewire’s outstanding teamwork and technical expertise.

From enhancing biofuel crops to setting up automated experiments and improving energy storage—interns at PNNL are making an impact.

Early life exposure to polycyclic aromatic hydrocarbons (PAHs), found in smoke, has been linked to developmental problems. To study the impacts of these pollutants, PAH metabolism in infants and adults were compared.

Scientists have developed a way to detect tiny amounts of hard-to-detect explosives more than eight feet away.

PMedIC, the PNNL and OHSU joint research collaboration, contributes to student success and impact in biomedicine.

Researchers will explore climate, pathogens and energy-efficient microelectronics using 3 million node hours on the nation’s supercomputers.

National laboratory expertise was on display at the 2024 Department of Homeland Security Research, Development, Test, and Evaluation Summit.