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.

Report for the Oregon Public Utility Commission highlights innovations and best practices for resilience and utility planning could be helpful to other states as well.

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

Scientists at PNNL are working to better prepare authorities, emergency responders, communities and the grid in the face of increasingly extreme hurricanes.

EGRASS helps prepare and fortify critical structures to protect against the worst consequences of new hurricanes.

Over three days more than 200 federal, state, and tribal partners gathered to evaluate and walk through the Federal Emergency Management Agency (FEMA) Region 10 Cascadia Subduction Zone Earthquake and Tsunami Response Plan.

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.

The Department of Homeland Security Science and Technology Virtual First Responder Capitol Hill Showcase highlighted PNNL work in fentanyl detection standards and database libraries.

Parallel graph neural networks identify protein-ligand 3-D structural interactions to aid in protein function prediction and drug discovery.

PNNL scientists are protecting first responders and others by expanding what’s known about fentanyl, the driver of the opioid epidemic.

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

Vanda Glezakou and Laboratory Fellow Roger Rousseau collaborated with other experts to write an American Chemical Society book chapter.

A hybrid computing approach for solving quantum chemical problems offers a practical bridge between classical and quantum computing.

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.