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.

Irradiated boehmite nanoplatelets form smaller aggregates and have a rougher surface than non-irradiated platelets.

Hydrogen bonding and proton transfer control the identity and reactivity of molecules in highly concentrated and alkaline aluminate solutions.

A new approach broadens the reach of quantum computers to previously challenging systems.

Researchers identified a new intermediate phase that forms during the crystallization of hydrated aluminum-containing salts.

HiSVSIM enables large-scale quantum simulations through graph partitioning.

Developing a new understanding of the structure of natrophosphate, a complex mineral found in radioactive tank waste at the Hanford Site, by integrating experimental techniques.

New research shows that compressing quantum circuits decreases noise and increases the accuracy of quantum calculations.

New research from PNNL results in faster and more accurate variational quantum algorithm training.

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.

Researchers in the IDREAM Energy Frontier Research Center unearth new defects during gibbsite crystallization using a multi-instrument approach.

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.

Newly determined energy transfer mechanisms help identify how water releases from and damages irradiated interfaces.

Developing an understanding of how water breaks apart after radiation exposure.

IDREAM researchers use fast force mapping to provide insights into the boehmite interfacial solution structure.

IDREAM researchers assess the potential of photon-in/photon-out XFEL techniques to explore early time reaction steps and ultimately improve nuclear waste processing strategies.

A team of researchers developed a simulation approach to identify how atomic structures can affect the phonon transport of energy and information in quantum systems near absolute zero temperatures.

New PNNL research provides the first direct evidence that amorphous intermediates influence subsequent crystallization outcomes using in situ imaging.