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.

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

PNNL gathered researchers from eight national laboratories plus the U.S. Department of Energy (DOE) to share ideas and build synergy at the Energy Equity and Environmental Justice Summit.

Eight PNNL research papers were recognized by the 2022 Waste Management Symposia as “Papers of Note” and “Superior.” One paper received a Best Oral Paper/Presentation Award.

PNNL’s Rob Howard received the 2022 Fuel Cycle and Waste Management Award from the American Nuclear Society.

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 Materials Scientist Leo Fifield recognized for contributions to the field of nuclear instrumentation and control.

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

To support federal energy agencies in meeting renewed environmental policies, PNNL is identifying the mechanisms and practices that could enhance agencies’ existing environmental justice programs, policies, and activities.

PNNL experts perform fundamental climate science work at multiple scales to understand impacts on energy, water, food, and infrastructure systems.

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.