PNNL researchers have published their paper “Introducing Molecular Hypernetworks for Discovery in Multidimensional Metabolomics Data” in the Journal of Proteome Research.

Under an optical field, nanoparticle attachment in a model system heavily depends on surface roughness.

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.

Jingshan Du, a postdoctoral scientist at PNNL whose research focuses on crystallization pathways of water and other materials, was named a 2025 CAS Future Leader.

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.

Machine learning and autonomous experimentation are poised to revolutionize how scientists grow very thin films on surfaces, important for technologies like microelectronics and quantum computing.

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.

Chromium cations better adapt to changes in oxygen stoichiometry than iron cations.

CACTUS provides AI-powered cheminformatics for autonomous science.

A new generation of microelectronics research begins at PNNL.

Using interfacial charge transfer to control cation charges in oxide superlattices offers insights for designing functional heterostructures.

Calcium carbonate mineralization occurs through a multi-step process that begins with a dense liquid phase.

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

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

Postdoctoral scientist Jingshan Du received the Nanoscale Science and Technology Division Early Career Award from AVS.

Graduate student Ying Xia has been selected as a Graduate Student Award Finalist for the 2024 Materials Research Society Fall Meeting.

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.