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.

The Forefront23 workshop convened researchers, scientists, and engineers who are just that: at the forefront of cybersecurity and nuclear nonproliferation.

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

A team of researchers at PNNL designed and constructed an atmospheric chamber to simulate the fate of volatile and semivolatile radioisotopes.

Microparticles help the International Atomic Energy Agency’s Network of Analytical Laboratories with quality of analyses.

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.

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.

PNNL is the newest member of the CONsortium on Nuclear sECurity Technologies (CONNECT).

Advancing the science of radiation, especially among students at minority-serving institutions, is the goal of one of the Department of Energy’s newest consortia.

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

PNNL experts in nuclear forensics helped lead laboratories around the world through a rigorous test involving nuclear materials.

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.

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

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

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.

Pacific Northwest National Laboratory researchers developed a patented, nearly non-destructive approach, known as liquid secondary ion mass spectrometry, to analyze nuclear samples.