A newly funded project will develop the fundamental understanding of phenomena that underpin material properties important for quantum applications.

Fully identifying what controls nanocrystal assembly requires incorporating non-traditional forces into models.

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.

Combining X-ray-based techniques allows researchers to locate and characterize small concentrations of electrons in complex semiconductor films.

Elias Nakouzi brings 3D atomic force microcopy expertise to a project focused on understanding how hybrid bio-based nanomaterials assemble.

The pathway of oxygen ion movement can be controlled based on the initial structure and substrate of strontium iron oxide thin films.

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

PNNL researchers demonstrated a simple method to create stable, identical nanoparticles of PdTe2-like composition, which is known to be superconducting, on a WTe2 TMD support.

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.

A combined experimental and theoretical study identified multiple interactions that affect the performance of redox-active metal oxides for potential electrochemical separation and quantum computing applications.

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.

A newly funded research project draws inspiration from nature to store carbon dioxide.

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.

A new approach to epitaxial growth can produce different complex oxides through ion movement.

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

PNNL researchers created a model that helps materials scientists not only predict what is, but what could be.