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.

The work by the team at PNNL takes a critical step in leveraging ML to accelerate advanced manufacturing R&D, specifically for manufacturing techniques without access to efficient, first-principles simulations.

PNNL will partner with Commonwealth Fusion Systems to develop innovative steel materials for fusion applications under the INFUSE program

Direct visualization of metal atoms during shear deformation has broad applications from battery design to vehicle lightweighting.

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.

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.

A new extrusion process eliminates pre-heating to provide significant energy savings during production of extruded aluminum alloys.

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

The first-ever simulation of aluminum conductivity offers a recipe for an inexpensive, lightweight alternative to copper.

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.

Road tripping? PNNL’s researchers driving science and technology for clean, efficient and convenient transportation.

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.

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.

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