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.

PNNL’s Katie Arkema was selected to be on NASEM committee focused on public health and conservation.

For a second year in a row, doctoral intern Jack Watson was awarded the Student Merit Award by the Society for Risk Analysis and the Resilience Analysis Specialty group.

Five staff members from PNNL received awards from the Department of Energy’s Federal Energy Management Program for contributions to projects for the U.S. Army.

A new version of the Department of Energy’s Technical Resilience Navigator allows users to prioritize resilience solutions based on both risk reduction and emissions impact.

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

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

Researchers studied water cycling to assess the achievability of net-zero water usage at military installations in the Pacific Islands.

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.

Arun Veeramany furthers the field of risk, reliability, and resilience in civil and mechanical engineering in his new role as an American Society of Civil Engineers-American Society of Mechanical Engineers journal editorial board member.

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.

Sue Southard's one thousand dives as a PNNL staff member leave a ripple effect on efforts to keep our ocean healthy, our economy thriving, and our waters safe.

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.

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