The first study modeling the mechanism of hydrated electron formation from aqueous iodide.

DOE Basic Energy Sciences 2023 “Poetry of Science Art Contest” aims to educate and inspire; voting for the People’s Choice Award closes September 15.

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.

Chemist Grant Johnson offers tips for mentoring a successful internship and creating opportunities for undergraduate students to publish research.

Waste Management Symposia ‘Paper of Note’ and ‘Superior Paper’ awards recognize PNNL contributions to advancing radioactive waste and materials management.

PNNL and University of Texas at El Paso leverage partnership and joint appointment program for a laboratory directed research and development project.

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

Team brought experience in nuclear waste forms and regulatory policies to the Federally Funded Research and Development Center’s report, which was reviewed by a National Academies’ committee.

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.

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.

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

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

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

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

PNNL research, featured on the cover of two science journals, describes advancements in using Raman spectrometry for Hanford Site nuclear waste remediation.

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.