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.

The low-temperature breakdown of polyolefins is driven by carbenium ions generated from chloroaluminate ionic liquids.

PNNL chemist and AI scientist Nancy Washton invited to present on AI literacy at National Science Bowl.

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.

PNNL's “co-scientist” serves as a one-stop AI shop for accelerating scientific discovery. By leveraging AI agents, researchers can explore scientific databases, conduct analyses and request step-by-step plans for testing their hypotheses.

PNNL’s Yong Wang has been elected to the National Academy of Engineering and will be inducted in October.

PNNL chemical engineer Mariefel Olarte shares passion for mentoring students and the next-generation workforce.

PNNL and one of the world’s largest tire makers will work to develop a commercially viable process that converts ethanol derived from sustainable sources or waste, like recycled tires, to butadiene, synthetic rubber’s main ingredient.

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

PNNL chemist Mark Engelhard has been chosen as president-elect of AVS Science and Technology of Materials, Interfaces, and Processing

Tuning the environment of supported palladium atoms with hydrogen treatment enhances their catalytic activity.

Scientists are developing ways to detect previously unseen forms of fentanyl as well as other synthetic opioids known as nitazenes.

Battelle Fellow Johannes Lercher was elected a Foreign Academician by the Royal Academy of Exact, Physical, and Natural Sciences of Spain for his contributions to chemical science.

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.

A switchable single-atom catalyst is activated in the presence of surface intermediates and reverts to its stable inactive form when the reaction is completed.