Calculating quantum chemistry quickly allows scientists to refine their understanding of complex chemical systems.

The speed and agility of cloud computing opens doors to completing advanced computational chemistry workflows in days instead of months.

PNNL chemist John Shilling builds custom chamber helping uncover how aerosol particles and clouds contribute to Earth’s changing climate.

Researchers discussed this topic at the 2024 Analog Computing for Science Workshop co-led by Antonino Tumeo.

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.

Proton shuffling in hydrated nicotine at low temperatures occurs via a Grotthuss mechanism, identified through experimental and computational work.

Artificial intelligence, high-throughput experimentation, and materials science expertise combine to efficiently develop next-generation energy storage materials.

Geochemist Kevin Rosso named an American Geophysical Union fellow in recognition of his work leading the field of molecular geochemistry.

Hydrogen atoms released and trapped in irradiated gibbsite are destabilized by synthetic-precursor residuals.

Three PNNL researchers will receive five continuous years of funding for projects through highly competitive DOE Early Career Research Program awards.

PNNL researchers earned five Papers of Note, 17 Superior Papers, and one poster award for their environmental remediation, radioactive waste, and nuclear energy-related presentations.

New funding spurs a new approach to researching the effective retrieval and processing of legacy radioactive waste. Four-year focus of the IDREAM EFRC will link attosecond timescales to decades-long chemical processes.

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

Kabrena Rodda, manager of the Analytical Chemistry and Instrumentation Group at PNNL, received the distinction of ACS fellow.

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

PNNL has developed a decision tool that provides contractors and installers with the information they need to properly select and install cold climate heat pumps, which are a key technology for achieving decarbonization.

The atomic-level distribution of nickel and cobalt in forsterite depends on the concentration of the different elements.

PNNL undergraduate intern Madeline Bartels leads research to verify and quantify carbon mineralization at an unprecedented small scale.

Researchers will explore climate, pathogens and energy-efficient microelectronics using 3 million node hours on the nation’s supercomputers.