A comprehensive investigation provides quantitative data on the interaction between zeolite pores and linear alcohols, with hydroxyl group interactions playing the largest role.

This achievement earned DIMPLES a Best Paper award at the ACM International Conference on Supercomputing 2025.

Three research teams led by PNNL organizers achieve journal publications following the Mathematics Research Communities program.

After isolating copper hydride monomers, researchers identified the mechanistic details of catalyst aggregation and cluster formation.

Expanding the nation’s largest wind power plant time series database; helping grid planners navigate a resilient energy future with better data.

PNNL researchers have published their paper, “Introducing Molecular Hypernetworks for Discovery in Multidimensional Metabolomics Data,” in the Journal of Proteome Research.

The low-temperature breakdown of polyolefins is driven by carbenium ions generated from chloroaluminate ionic liquids.

PNNL chemical engineer Mariefel Olarte shares passion for mentoring students and the next-generation workforce.

Tuning the environment of supported palladium atoms with hydrogen treatment enhances their catalytic activity.

A switchable single-atom catalyst is activated in the presence of surface intermediates and reverts to its stable inactive form when the reaction is completed.

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

Increasing the concentration of ions in zeolite micropores leads to a significant increase in the rate of acid catalyzed reactions.

Electronic modifications from hydrogen spillover onto the oxide support increase the activity of single-atom rhodium catalysts.

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

A team of researchers from Pacific Northwest National Laboratory and the Environmental Molecular Sciences Laboratory developed a new and flexible software tool called “Advanced Spectra PCA Toolbox.”

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.

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

Researchers created a methodology to design custom network topologies that improve the execution time for scientific applications.

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

Researchers unveil user-friendly software to keep complex projects on budget and on schedule.