PNNL and University of Texas at El Paso leverage partnership and joint appointment program for a laboratory directed research and development project.

Computational chemistry libraries from NWChem, NWChemEX, SPEC, and more are now available on Azure Quantum Elements.

Research from PNNL and the University of Washington demonstrates the extension of the MBE for periodic systems and its use to decompose the lattice energies of different ice polymorphs.

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.

Fish biologist Brenda Pracheil has been named chair of the Low Impact Hydropower Institute focused on reduction of impacts of hydropower dams on the environment.

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

Despite severe drought, a new report shows that hydropower remains a strong and steadfast contributor of renewable energy in the West.

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.

New research simulates power demand, supply, and cost in a hotter, drier climate.

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.

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.

A new PNNL study quantifies hydropower's contribution to grid stability. When other power sources go out, hydropower can ramp up, recoup shortfalls, and stabilize the grid nearly instantaneously.