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.

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.

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.

Researchers developed a robust, cost-effective, and easy-to-use cap-based technique for spatial proteome mapping, addressing the lack of accessible proteomics technologies for studying tissue heterogeneity and microenvironments.

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.

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.

Scientists plumbed the depths of nearly 3,000 soil samples from around the globe to compile the heftiest atlas of soil viruses ever created.

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

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

Three PNNL researchers will receive five continuous years of funding for projects through highly competitive DOE Early Career Research Program awards.

PNNL researchers earned five Papers of Note, 17 Superior Papers, and one poster award for their environmental remediation, radioactive waste, and nuclear energy-related presentations.

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

Despite the widespread presence of RNA viruses in soils, little is known about the relative contributions and interactions of biological and environmental factors shaping the composition of soil RNA viral communities.

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