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.

Over the next four years, PNNL and University of Arizona will develop open-source computational tools to better identify and characterize the viruses associated with the human microbiome.

Armed with some of the world’s most advanced instrumentation, researchers at PNNL are working to analyze huge amounts of data and uncover hidden biological connections.

A potential quantum advantage for fluid dynamics simulations from molecular to atmospheric scales with a new formula for success.

CACTUS provides AI-powered cheminformatics for autonomous science.

PNNL’s Center for Cloud Computing is addressing challenges in data management and hybrid cloud solutions with industry and academic partnerships.

Scientists are using artificial intelligence and powerful computing to sculpt new molecules in an effort to treat disease.

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

Scientists plumbed the depths of nearly 3,000 soil samples from around the globe to compile the heftiest atlas of soil viruses ever created.

In a recent publication in Nature Communications, a team of researchers presents a mathematical theory to address the challenge of barren plateaus in quantum machine learning.

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

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.

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

A compilation of soil viral genomes provides a comprehensive description of the soil virosphere, its potential to impact global biogeochemistry, and an open database for future investigations of soil viral ecology.

New research sheds light on the biomolecular dangers of night shift work.

Data reveals mechanisms in our bodies that can help us fight viral pathogenesis.

New apps help researchers with statistical analyses of data.