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 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.

EGRASS helps prepare and fortify critical structures to protect against the worst consequences of new hurricanes.

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 developed a new model to help power system operators and planners better evaluate how grid-forming, inverter-based resources could affect the system stability.

Recognizing how innovation and clean technologies at the very edge of the grid can work together to transition the electricity system, PNNL takes a multidisciplinary approach to advancing and integrating renewable energy solutions.

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.

Reimagining the United States power grid could save consumers $50 billion a year.

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

With an eye on renewable, accessible, and resilient power, PNNL researchers show hyper-local microgrids are a viable option, if designed with the right mix of sources.

Electrical engineer Aditya Ashok and cybersecurity researcher Thomas Edgar win best paper award for their work to create a new high-fidelity dataset that will help advance cybersecurity solutions for critical infrastructure protection.

Through the Net Zero World Initiative, expertise from DOE national laboratories will be harnessed to put global net zero within reach.