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

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.

The ARPA-E Energy Innovation Summit brings together researchers, industry leaders, entrepreneurs, and investors to showcase the latest technologies shaping tomorrow’s energy landscape. This year, eight projects led by PNNL were featured.

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.

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.

Three PNNL technologies have been declared winners of 2025 Federal Laboratory Consortium Awards, named for a program that recognizes federal laboratories and their industry partners for outstanding technology transfer achievements.

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 teamed up with multiple agencies to install a battery energy storage system at a South Dakota Air Force base.

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

Future holiday homecomings could include efficient heat pumps in cold climates and homes designed and built with the environment in mind.

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

Research that modeled increased heat pump adoption alongside climate change impacts in Texas showed that high-efficiency heat pumps buffer the strain that electric heating might put on the power grid.

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

Secretary Granholm praises heat pump workforce development efforts at this year's instructor training program.

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.