Pacific Northwest National Laboratory researchers developed a new theoretical method for studying highly correlated systems.

PNNL and collaborators developed new models—recently approved by the U.S. Western Electricity Coordinating Council (WECC)—to help utilities understand how new grid-forming inverter technology will enhance grid stability.

Researchers investigated how stable nanoparticle suspensions form using facet engineering on hematite nanoparticles, demonstrating that controlling the faceting of nanoparticles can effectively maintain particle dispersity.

Researchers designed ultra-low radiation cables to reduce background noise for highly sensitive neutrino and dark matter detectors.

PNNL’s Richard Saldanha will lead a new project to benchmark and validate models of cosmic ray exposure

The first study modeling the mechanism of hydrated electron formation from aqueous iodide.

PNNL will lead support to one of six community teams chosen today by the U.S. Department of Energy to receive a total of up to $25 million.

PNNL led one of five Pathway Summer School programs nationwide, with a specific focus on engaging students from Native American or Indigenous backgrounds.

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.

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.

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

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.