Bradley Crowell with the U.S. Nuclear Regulatory Commission sees advanced materials integrity, radiological measurement, and environmental capabilities on his first visit to PNNL.

IDREAM research shows that keeping only the most important two- and three-body terms in reactive force fields can decrease computational cost by one order of magnitude, while preserving satisfactory accuracy.

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

PNNL’s ARENA test bed analyzes how electrical cables degrade in extreme environments and how nondestructive examination inspection technologies can detect and locate damage.

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.

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

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 combined experimental and modeling study shows that electronic interactions direct how a metal-organic framework grows.

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.

PNNL research, featured on the cover of two science journals, describes advancements in using Raman spectrometry for Hanford Site nuclear waste remediation.

Combining multiple experimental techniques allowed researchers to observe the early stages of oxidation in a model material.

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

Providing a perspective on the importance of integrating experimental work with theory and simulations when designing new carbon capture solvents.

PNNL scientists developed new capabilities to study materials under extreme conditions.

Different sized helium cavities that form after ion irradiation are unevenly distributed in a ductile-phase toughened tungsten composite.

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.

Researchers achieved the complete assignment of the infrared spectrum of a hydronium-water “magic number” cluster reported in Science in 2004.