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.

Under Secretary for Science and Innovation at the Department of Energy Geri Richmond visited PNNL.

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.

STEM Education programs at DOE and national labs offer environmental management internships; applications are due soon for summer 2023.

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

Data-driven experiments can help determine best practices for Random Forest machine learning to predict water quality, particularly nitrate levels.

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.

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.

A new web-based tool provides easy-to-understand progress metrics and other data about groundwater cleanup sites overseen by the DOE Office of Environmental Management.

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.

New research makes molecular-level calculations of water faster and easier.