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.

A new study led by PNNL researcher TC Chakraborty provides some answers about how irrigated agricultural land near cities affects urban heat stress.

Lauren Charles, a chief data scientist at PNNL, showcased the vital research coming out of her program at The National Academies Forum workshop in Washington, D.C., January 15–16, 2025.

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.

Researchers at PNNL are pursuing new approaches to understand, predict and control the phenome—the collection of biological traits within an organism shaped by its genes and interactions with the environment.

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.

This week at AAAS, PNNL scientists discuss phenomics and the factors that influence DNA instructions to bring about the world around us.

CACTUS provides AI-powered cheminformatics for autonomous science.

PNNL’s year in review includes highlights ranging from advancing soil science to understanding Earth systems, expanding electricity transmission, detecting fentanyl, and applying artificial intelligence to aid scientific discovery.

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

PNNL scientists use proteomics to unveil how high-density lipoproteins protect against cholesterol accumulation in the artery wall.

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

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

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.

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.