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.

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.

Irradiated boehmite nanoplatelets form smaller aggregates and have a rougher surface than non-irradiated platelets.

PNNL’s Isabella van Rooyen leads the JOM special section on Additive Manufacturing for High Temperature Energy Systems.

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.

Hydrogen bonding and proton transfer control the identity and reactivity of molecules in highly concentrated and alkaline aluminate solutions.

A new method to convert waste plastic to fuel and raw materials promises to help close the carbon cycle at mild temperature and with high yield.

Four PNNL researchers specializing in nuclear waste management received awards from the ASTM International Committee C26 on Nuclear Fuel Cycle.

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

Researchers identified a new intermediate phase that forms during the crystallization of hydrated aluminum-containing salts.

The American Society of Mechanical Engineers recognized radioactive material transportation expert Matt Feldman with its 2022 Dedicated Service Award.

The amount of radiation in a system influences how fast aggregated boehmite particles dissolve.

Simulations show that pH influences boehmite nanoparticle structure and sorption ability.

Developing a new understanding of the structure of natrophosphate, a complex mineral found in radioactive tank waste at the Hanford Site, by integrating experimental techniques.

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.

The size and concentration of ions influences the aggregation behavior of solutions of boehmite.