New research informs the development of foundational models for computational chemistry through hardware-software co-design.

Catalysts that efficiently transfer hydrogen for storage in organic hydrogen carriers are key for more sustainable generation and use of hydrogen. New research identifies activity descriptors that can accelerate novel catalyst development.

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

The Deep Vadose Zone program leads a treatability study for subsurface remediation of the Hanford Site’s Central Plateau.

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.

PNNL is supporting the Department of Homeland Security Science and Technology Directorate's Chemical Security Analysis Center in improving capabilities to enhance detection and analysis of chemical threats.

Researchers devised a quantitative and predictive understanding of the cloud chemistry of biomass-burning organic gases helping increase the understanding of wildfires.

Reproducible workflows for binning and visualizing nuclear magnetic resonance spectra from environmental samples.

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

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

A simple gel-based system separates metals ions from a model solution of dissolved battery electrodes without the need for specialty chemicals, membranes, or toxic solvents.

Machine learning methods and data science can uncover hidden patterns in nanoparticle synthesis conditions and property outcomes.

Irradiation in a sodium hydroxide solution increases the dissolution rate and particle roughness of gibbsite compared to dry irradiation.

PNNL research unlocks key findings needed for potential commercial deployment of carbon mineralization technology.

Elias Nakouzi brings 3D atomic force microcopy expertise to a project focused on understanding how hybrid bio-based nanomaterials assemble.

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

A team of scientists at PNNL developed new computational models to predict the behavior of these impurities and reduce the expense and risk related to actinide metal production.

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.

A novel electrode functionalization strategy enables efficient removal of toxic heavy metals from wastewater.

1-propanol converts from a monomer into a trimer at aluminum sites within zeolite pores.