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.

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

The diversity and function of organic matter in rivers at a large scale are influenced by factors, such as the types of vegetation covering the land, the energy characteristics, and the breakdown potential of the molecules.

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.

A combined experimental and computational approach showed that the hydration shell of hydroxide has a four-coordinate binding.

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

The size of the alkali metal within the material influences the crystallization pathway.

Structural changes in heavy water occur at different temperatures than in standard water.

ICON science is a Department of Energy-developed framework to enhance scientific outcomes via more intentional design of research efforts across all domains of science.

Quantum simulators help navigate noise on GPU-based HPC systems.

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.

A new microbial community model reveals previous exposure to hydrologic variation influences a species’ specialized biogeochemical functions.

Detailed characterization of molecules in, under, and along the Columbia River reveal potential mechanisms for biogeochemical cycling.

Integrating hydrogeology and biogeochemistry are required to model the dynamics of geochemical processes occurring in river corridor zones where groundwater and surface water mix.

Theoretical analysis reveals flow variations that happen over longer time periods affect a plume’s spread and center of mass.

New study elucidates the complex relaxation kinetics of supercooled water using a pulsed laser heating technique at previously inaccessible temperatures.

Spectroscopic experiments reveal significant variations in the electronic structures of actinide tetrafluorides despite their nearly identical crystal structures.

Principles derived from coastal wetlands to describe wetland channel cross-sections were applicable to the Columbia River estuary, but not the tidal river.