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.

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.

By combining computational modeling with experimental research, scientists identified a promising composition that reduces the need for a critical material in an alloy that can withstand extreme environments.

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.

Solid phase manufacturing can create new custom metal alloys through an innovative process called solid phase alloying, researchers from PNNL report.

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

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.

PNNL researchers have developed a new, physics-informed machine learning model that accurately predicts how heat accumulates and dissipates during friction stir processing.

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.

Researchers discussed this topic at the 2024 Analog Computing for Science Workshop co-led by Antonino Tumeo.

PNNL researchers will pursue both fundamental and applied projects with this support from the Department of Energy

A cross-institutional team of scientists developed PeakQC, a new software tool for automated quality control of mass spectrometry data.

The Department of Energy’s Vehicle Technologies Office recognized Livewire’s outstanding teamwork and technical expertise.

Ljiljana Paša-Tolić, a PNNL fellow, is the recipient of the 2024 International Mass Spectrometry Foundation’s Jochen Franzen Award. 

Scientists have developed a way to detect tiny amounts of hard-to-detect explosives more than eight feet away.

PNNL’s patented Shear Assisted Processing and Extrusion (ShAPE™) technique is an advanced manufacturing technology that enables better-performing materials and components while offering opportunities to reduce costs and energy consumption.