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

Jeff Burghardt is the chair of the technical program for the 59th US Rock Mechanics/Geomechanics Symposium of the American Rock Mechanics Association.

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.

Led by interns from multiple DOE programs, a newly expanded dataset allows researchers to use easy-to-obtain measurements to determine the elemental composition of a promising carbon storage mineral.

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

A new database allows researchers to connect lattice parameters and composition in olivine.

New methodology can evaluate the potential for carbon storage and critical mineral recovery in undercharacterized geological settings.

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.

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.

Data from SOSAT web tool informs site selection and management for the subsurface injection of captured carbon dioxide.

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

PNNL undergraduate intern Madeline Bartels leads research to verify and quantify carbon mineralization at an unprecedented small scale.

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.