PNNL played host in mid-May to the Artificial Intelligence for Robust Engineering & Science workshop, an annual event that explores advances in artificial intelligence

PNNL shared recent developments in artificial intelligence at the inaugural Special Competitive Studies Project AI for National Competitiveness Expo.

The software democratizes hardware designs by enabling domain scientists to design their own accelerators.

A new quantum algorithm speeds up simulations of coupled oscillator dynamics.

PNNL recently partnered with Amazon Web Services for AWS GameDay, a gamified learning event that challenges participants to use AWS solutions to solve real-world technical problems in a team-based setting.

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.

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

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.

PNNL’s DataLife tool analyzes and identifies bottlenecks in scientific workflows.

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

Ripples demonstration will take place at the DOE booth at the International Conference for High Performance Computing, Networking, Storage, and Analysis.

Scientists at PNNL were awarded nearly $12 million to better understand pathogens, how they spread, and how to prepare the nation against future outbreaks.

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

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

Computational chemistry libraries from NWChem, NWChemEX, SPEC, and more are now available on Azure Quantum Elements.

ExaGO, a power grid simulation and optimization platform developed at PNNL is the first of its kind to run on Frontier.

A combined experimental and theoretical study identified multiple interactions that affect the performance of redox-active metal oxides for potential electrochemical separation and quantum computing applications.

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

Advances in understanding the nature of the chemical bond are featured in this special issue of The Journal of Chemical Physics.