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.

PNNL and The University of Texas at El Paso expand their premier partnership to include the Cyber Halo Innovation Research Program.

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.

Based on the early success of CHIRP and the urgency to build the future cybersecurity workforce, the program recently received five million dollars in funding through the FY23 Defense Appropriations Bill, via SSC.

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.

The Public Infrastructure Security Cyber Education System is a university-community-nonprofit collaboration changing cyber education and cybersecurity.

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

RedEye is a first-of-its-kind tool that was created to improve the operations of red and blue teams.

Space Systems Command and PNNL welcome the University of Texas at El Paso to the Cyber Halo Innovation Research Program.

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.

Theoretical work shows that an important natural iron source can be described as a nanoscale composite of different, but experimentally indistinguishable, structures.

New mathematical tools developed at PNNL hold promise to transform the way we operate and defend complex cyber-physical systems, such as the power grid.