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.

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.

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

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.

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

PNNL biodefense experts seek to identify, understand and mitigate the risks of biological pathogens—whether naturally occurring or intentionally created—so steps can be taken to prepare and respond.

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

Researchers will explore climate, pathogens and energy-efficient microelectronics using 3 million node hours on the nation’s supercomputers.

Research at PNNL and the University of Texas at El Paso are addressing computational challenges of thinking beyond the list and developing bioagent-agnostic signatures to assess threats.

PNNL’s Andrew Engel, Tony Chiang, and Sutanay Choudhury at the 2024 ICLR in Vienna.

Beyond melting ice and higher temperatures: On Earth Day, scientists consider how climate change will affect national security.

Samantha Erwin, a PNNL data scientist, was recently appointed to the Society for Industrial and Applied Mathematics Membership Committee.

PNNL helps deliver efficiency-related rules and requirements that steadily improve performance of America’s buildings, saving energy and costs and reducing carbon emissions.

Brett Jefferson, data scientist, was recently recognized for his determination and success in his research space with an Early Career Award from Indiana University Bloomington in the Psychological and Brain Sciences Department.

Mandy Mahoney, director of the DOE Building Technologies Office, visited PNNL in late November. One key agenda item involved meeting with staff for a discussion of effective equity and justice integration in buildings-related research.