Increasing concentrations of ions slows the rate of particle aggregation in boehmite suspensions.

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.

New IDREAM research explores the effects of electrolyte species on boehmite nanoparticle aggregation in legacy wastes.

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.

Hydrogen atoms released and trapped in irradiated gibbsite are destabilized by synthetic-precursor residuals.

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.

Recycling polyolefin materials is challenging. One waste management strategy is plastic upcycling. New work demonstrates a single-step upcycling route coupling cracking and alkylation, recycling carbon and keeping valuable resources active.

When exposed to a sufficiently high dose of ionizing radiation, gibbsite and boehmite are less susceptible to dehydration-induced breakdown.

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.

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.

IDREAM scientists capture electronic response to ionization.

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.

IDREAM research shows the size of cations in highly concentrated nitrite solutions affects the production of radicals.

Researchers investigated how stable nanoparticle suspensions form using facet engineering on hematite nanoparticles, demonstrating that controlling the faceting of nanoparticles can effectively maintain particle dispersity.

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

Differences in water interactions lead to two gibbsite dissolution pathways modulated by solution acidity.