CACTUS provides AI-powered cheminformatics for autonomous science.

PNNL’s Center for Cloud Computing is addressing challenges in data management and hybrid cloud solutions with industry and academic partnerships.

PNNL researchers work with industry partners to transform large language models.

University of Washington Professor David Baker won the 2024 Nobel Prize in Chemistry for computational protein design.

A cross-institutional team of scientists developed PeakQC, a new software tool for automated quality control of mass spectrometry data.

In a recent publication in Nature Communications, a team of researchers presents a mathematical theory to address the challenge of barren plateaus in quantum machine learning.

ChemReasoner combines decades of chemistry knowledge with large language models to propose strategies for effective new catalysts.

A new approach validates quantum algorithms for low-energy nuclear physics applications

PNNL shared recent developments in artificial intelligence at the inaugural Special Competitive Studies Project AI for National Competitiveness Expo.

The Department of Energy Office of Nuclear Energy acting assistant secretary makes his first visit to a national laboratory in his new role, touring PNNL's Radiochemical Processing Laboratory.

PNNL researchers review ceramic-metal composite technology for immobilizing radioactive wastes from nuclear reactors, including advanced reactors.

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 computing experts Robert Rallo and Court Corley contribute their knowledge to a recent DOE report on applications of AI to energy, materials, and the power grid.

In a new approach, quantum flow algorithms are used to simulate many-body systems on quantum computers and effectively describe chemical processes.

PNNL researchers use chemometric analysis to model chemistry in molten salt.

In soil, microbes produce and consume methane. Using a technique called pool dilution, researchers can separate the rate of methane production and consumption from the net rate.

PNNL researchers comment on the “Adversarial Machine Learning” white paper from the National Institute of Standards and Technology.

PNNL is one of the founding partners of the Trillion Parameter Consortium, which was formed to create reliable generative AI models.

Resolving how nanoparticles come together is important for industry and environmental remediation. New work predicts nanoparticle aggregation behavior across a wide range of scales for the first time.

PNNL’s DataLife tool analyzes and identifies bottlenecks in scientific workflows.