PNNL chief data scientist Lauren Charles participated in a science-focused panel linked to the 79th session of the United Nations General Assembly.

University of Washington Professor David Baker won the 2024 Nobel Prize in Chemistry for computational protein design.

Controlling the nanostructure of silk fibroin—a protein found in silk—is a key step toward designing and fabricating electronics that leverage the material’s promising mechanical, optical and biocompatible properties.

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.

The speed and agility of cloud computing opens doors to completing advanced computational chemistry workflows in days instead of months.

Lauren Charles, a chief data scientist at PNNL, has been named an affiliate member of Global One Health Academy at North Carolina State University.

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

The Pacific Northwest Association of Toxicologists (PANWAT) presented its annual Toxicology Achievement Award to Katrina Waters at the Society of Toxicology Pacific Northwest Chapter Meeting, held in Lynnwood, Washington, on September 30th.

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.

Proton shuffling in hydrated nicotine at low temperatures occurs via a Grotthuss mechanism, identified through experimental and computational work.

Three PNNL researchers will receive five continuous years of funding for projects through highly competitive DOE Early Career Research Program awards.

Neeraj Kumar discusses how AI can transform scientific research at the Platform for Advanced Scientific Computing Conference and Trillion Parameter Consortium European Workshop.

ChemReasoner combines decades of chemistry knowledge with large language models to propose strategies for effective new catalysts.

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.

The atomic-level distribution of nickel and cobalt in forsterite depends on the concentration of the different elements.

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.

A new study demonstrates a hybrid model that can simulate part of a system at the molecular scale and other parts at larger scales in a computationally efficient manner, providing greater simulation flexibility.

Publisher will draw on Katrina Waters' expertise in public health and infectious disease.