At the Nonproliferation, Counterproliferation, and Disarmament Science Gordon Research Conference, researchers from PNNL shared research and scientific approaches for countering diverse threats.

Through collaboration with the Department of Homeland Security Soft Target Engineering to Neutralize the Threat Reality Center of Excellence, PNNL is advancing research and development of tools and methodologies to protect crowded places.

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.

PNNL scientists are creating new ways to learn more about the vast sea of chemicals that haven't been identified—yet.

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

Researchers created the first open-source database of exotic materials eyed for use in quantum applications.

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.

Advances in understanding the nature of the chemical bond are featured in this special issue of The Journal of Chemical Physics.

Xantheas was one of four professors in 2021/2022 to be selected by the Göttingen Academy of Sciences and Humanities for this award.

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 work by the team at PNNL takes a critical step in leveraging ML to accelerate advanced manufacturing R&D, specifically for manufacturing techniques without access to efficient, first-principles simulations.

PNNL will partner with Commonwealth Fusion Systems to develop innovative steel materials for fusion applications under the INFUSE program

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

Direct visualization of metal atoms during shear deformation has broad applications from battery design to vehicle lightweighting.

A new extrusion process eliminates pre-heating to provide significant energy savings during production of extruded aluminum alloys.

The first-ever simulation of aluminum conductivity offers a recipe for an inexpensive, lightweight alternative to copper.

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.