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

Xantheas was one of four professors in 2021/2022 to be selected by the Göttingen Academy of Sciences and Humanities for this award.

A combined experimental and computational approach showed that the hydration shell of hydroxide has a four-coordinate binding.

New PNNL research makes it easier to differentiate between chemical and nuclear explosions.

PNNL’s contributions over the last year span scientific discovery, sustainable energy and national security.

Manish Sharma, a physicist at PNNL, has been nominated to serve on the Radiation Protection and Shielding Division Executive Committee.

Advancing the science of radiation, especially among students at minority-serving institutions, is the goal of one of the Department of Energy’s newest consortia.

Twenty years after the first radiation portal monitor was installed, PNNL continues supporting the Department of Homeland Security’s efforts to detect and prevent terrorist weapons from crossing our borders.

New research makes molecular-level calculations of water faster and easier.

PNNL experts in nuclear forensics helped lead laboratories around the world through a rigorous test involving nuclear materials.

New research shows that compressing quantum circuits decreases noise and increases the accuracy of quantum calculations.

Tiffany Kaspar’s work has advanced the discovery and understanding of oxide materials, helping develop electronics, quantum computing, and energy production. She strives to communicate her science to the public.

PNNL researchers developed a hybrid quantum-classical approach for coupled-cluster Green’s function theory that maintains accuracy while cutting computational costs.

Xantheas awarded a visiting fellowship from the International Center for Advanced Studies of Energy Conversion in Germany.

Structural changes in heavy water occur at different temperatures than in standard water.

The size of the alkali metal within the material influences the crystallization pathway.

PNNL researchers utilized the Peeters-Devreese-Soldatov formulation to improve the accuracy of calculations for quantum chemistry.

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

In a book chapter exploring blockchain applications, Sarah Frazar explores use of distributed ledger technology for international nuclear safeguards.

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