PNNL researchers have published their paper, “Introducing Molecular Hypernetworks for Discovery in Multidimensional Metabolomics Data,” in the Journal of Proteome Research.

Directionally biased electrostatic interactions are the key to significantly tuning the reduction potential of iron/sulfur clusters.

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.

Researchers can now quantify uncertainty in trained AI models aimed at solving difficult chemistry, biology and materials science problems.

Researchers have created an algorithm that slashes the calculations necessary to prepare and customize data for quantum computing.

Scientists are exploring how web search engine technology might also keep the lights on, the water running and the trains moving.

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.

From enhancing biofuel crops to setting up automated experiments and improving energy storage—interns at PNNL are making an impact.

Early life exposure to polycyclic aromatic hydrocarbons (PAHs), found in smoke, has been linked to developmental problems. To study the impacts of these pollutants, PAH metabolism in infants and adults were compared.

PMedIC, the PNNL and OHSU joint research collaboration, contributes to student success and impact in biomedicine.

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

New research sheds light on the biomolecular dangers of night shift work.

Researchers used a combination of sophisticated laboratory incubations and field measurements to determine the role of microbial production and consumption of methane in soils with different exposure to tidal inundation