A comprehensive understanding of the electronic structure of uranyl ions provides insight into the chemistry of nuclear waste and uranium separation technologies.

Researchers achieved the complete assignment of the infrared spectrum of a hydronium-water “magic number” cluster reported in Science in 2004.

PNNL researchers received the “Best Paper Award” at the 39th IEEE International Conference on Computer Design.

Artificial intelligence-based decision tool enables grid operators to respond more quickly and effectively to grid emergencies.

PNNL researchers contributed to the International Conference on Data Science and Advanced Analytics 2021 Best Paper Award-winning publication.

Scott Chambers creates layered structures of thin metal oxide films and studies their properties, creating materials not found in nature. He will soon move his instrumentation and research to the new Energy Sciences Center.

Tumeo joins other computer scientists in a contributed article on graph processing systems to the Communications of the ACM.

PNNL physicist Bruce Kay, global leader in supercooled water research, prepares for move to Energy Sciences Center.

PNNL computer scientist Ang Li serves as one of the principal investigators for a project selected to receive DOE funding.

Slaven Peles, PNNL computational scientist and leader of a national high-performance computing project for power grid analysis, spoke about the project with the host of the Let’s Talk Exascale podcast.

New study elucidates the complex relaxation kinetics of supercooled water using a pulsed laser heating technique at previously inaccessible temperatures.

Researchers to design their own computer accelerators for faster analysis of large datasets.

OpenCGRA expedites the design-prototype cycle of computer architecture development.

A research project that brings together mathematicians and atmospheric scientists has developed into a deep collaboration for improving atmospheric models.

Spectroscopic experiments reveal significant variations in the electronic structures of actinide tetrafluorides despite their nearly identical crystal structures.

The DOE Early Career Research Program supports exceptional researchers during the crucial early years of their careers and helps advance scientific discovery in fundamental sciences

With quantum chemistry, researchers led by PNNL computational scientist Simone Raugei are discovering how enzymes such as nitrogenase serve as natural catalysts that efficiently break apart molecular bonds to control energy and matter.

A new study connects microscopic molecular-level descriptions with properties of a liquid at the macroscopic scale.

By combining state-of-the-art computational and experimental approaches, researchers have begun to resolve the effects of solvent molecules on electron transfer.

Combining transition state theory with Marcus theory provides insight into the fundamental processes of proton transfer in water.