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.

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.

For PNNL’s Jonathan Evarts, Hope Lackey, and Erik Reinhart, this partnership with WSU opened doors and provided opportunities for their scientific careers to flourish.

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.

Staff at PNNL recently traveled to Cyprus to facilitate a multilateral workshop on chemical forensics investigations hosted by the U.S. Department of State, Office of Weapons of Mass Destruction Terrorism.

Staff at PNNL recently visited the University of Texas at San Antonio to deliver lectures on international law, arms control, and nuclear nonproliferation during Nuclear Policy Week.

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

PNNL staff scientist selected as a guest editor for a special issue titled “Ligand-Metal Complementarity in Rare Earth and Actinide Chemistry,” in the well-known journal Inorganic Chemistry.

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

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

Visual Sample Plan, a free software tool developed at PNNL that boosts statistics-based planning, has been recognized with a 2024 Federal Laboratory Consortium Award.