The Co-Optimization of Fuels & Engines initiative recently outlined six years of research in a findings and impact report.

Tuning the environment and platinum-group metal allows researchers to control which bonds the catalyst breaks using hydrogen.

Researchers use machine learning to speed up the analysis of aerosol datasets from mass spectrometry.

Quantum simulators help navigate noise on GPU-based HPC systems.

PNNL researchers utilized the Peeters-Devreese-Soldatov formulation to improve the accuracy of calculations for quantum chemistry.

A comprehensive understanding of the electronic structure of uranyl ions provides insight into the chemistry of nuclear waste and uranium separation technologies.

PNNL researchers worked to decouple the effects that solvents impose on reactions catalyzed in the liquid phase.

New research finds that reaction rates for cyclic alcohol dehydration increase as ionic strength increases, independent of reaction mechanism.

PNNL researchers developed a way to produce accurate simulations of complex physical systems using renormalized approximations across multiple scales

Hypergraphs can more faithfully identify important genes in complex immune responses.

The web-based tool, called PLATIPUS, is publicly available and interacts with publications available in the CovidScholar database.

Seeking a deeper understanding of when, where, and why large wildfires occur using explainable artificial intelligence.

Local ionic strength within zeolite pores tailors the chemical potential of reacting molecules, leading to high cyclohexanol dehydration activity

Tetranuclear molybdenum sulfide clusters encaged in zeolites mimic the FeMo-cofactor of nitrogenase, offering a new opportunity for improving industrial hydrotreatment processes.

New research uncovers the mechanism of carbon dioxide reduction by metal-O-Fe bonds of single-metal atoms and metal nanoparticles supported by oxidic surfaces.

Characterizing the electron redistribution that allows the binding of molecular nitrogen to the catalytic core of nitrogenase.

A new approach uses CO₂ to favorably co-produce methanol and glycols in a simple one-pot reaction.

New mathematical tools developed at PNNL hold promise to transform the way we operate and defend complex cyber-physical systems, such as the power grid.

A nanosized metal catalyst directly bonded to a metal-organic framework is active in converting carbon dioxide to methanol.

Predictive models indicate cells regulate enzyme activity to maintain liquid center.