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

Neural networks techniques enable the efficient capture of electron correlation effects in reduced-dimensionality spaces.

In the search for rare physics events, extremely pure materials are essential. A partnership between PNNL and Ultramet has led to tungsten with low contamination from other elements.

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

Developing a new scheme to more efficiently solve quantum chemistry problems.

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

Pacific Northwest National Laboratory researchers developed a new theoretical method for studying highly correlated systems.

Nineteen PNNL-affiliated researchers have been named to Clarivate’s 2024 list of the world's most highly cited researchers.

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.

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

In a recent publication in Nature Communications, a team of researchers presents a mathematical theory to address the challenge of barren plateaus in quantum machine learning.

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.

Recycling polyolefin materials is challenging. One waste management strategy is plastic upcycling. New work demonstrates a single-step upcycling route coupling cracking and alkylation, recycling carbon and keeping valuable resources active.

A new approach validates quantum algorithms for low-energy nuclear physics applications

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

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.