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.

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.

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

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

Researchers from PNNL have been assessing installation and use of electric heat pumps in an Alaskan community that relies on fuel oil for heat. The resulting information could advance electrification in cold rural areas across the nation.

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

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.

PNNL has created the Center for AI @PNNL to coordinate the pioneering research of hundreds of scientists working on a range of projects in artificial intelligence.

Making it on CrystEngComm’s HOT list, the article, “Designing scintillating coordination polymers using a dual-ligand synthetic approach,” highlights research on existing materials that are non-traditional scintillators.

Input from humans helps when deciding whether to trust the recommendations or decisions of a machine-learning system.

The use of disciplines in pure mathematics can increase the reliability and explainability of machine learning models that “transcend human intuition,” according to PNNL scientists.

PNNL is at the midpoint of a study focused on the installation of electric heat pump water heaters in New Orleans homes. The efficient water heaters offer a unique capability that could help speed the transition from fossil fuels.