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.

New apps help researchers with statistical analyses of data.

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.

A team of researchers from PNNL provided technical knowledge and support to test a suite of techniques that detect genetically modified bacteria, viruses, and cells.

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

Studying single crystal reactions provides molecular-level insight into catalytic processes.

PNNL researchers present challenges and opportunities for fusing graph neural networks with deep reinforcement learning.

Highly precise and controllable single-atom catalysts are affected by reaction conditions, which can alter the bonding around the atoms and the activity.

PNNL researchers outline open problems in different scientific areas in the Journal of Combinatorics.

Methods review suggests ways to use artificial intelligence and machine learning to handle missing data when integrating two or more omics approaches.

Water affects the intermediates present on the surface of a metal oxide catalyst during ketonization.

Newly developed models can help rapidly optimize systems to meet the need for rapidly deployable commercial carbon capture.

PNNL researchers combined deep operator networks with spectral methods to efficiently and accurately solve complex equations.

A new system can convert common plastics into valuable fuel molecules.

Within zeolite pores, rates of alcohol dehydration increase with ionic strength until reaching a maximum and then decreasing.

In a water-containing system, the open circuit potential stabilizes positively charged species and lowers the energy barrier of the reaction.

To thwart pathogens, researchers in the epidemiology field of infectious disease (ID) prediction are continuously trying to forecast when, where, and how an ID event will occur.

PNNL joint appointee Auroop Ganguly uses data science to study the impacts of climate change.