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.

PNNL scientists investigate the promising properties of a common, Earth-abundant salt.

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.

A team of researchers at PNNL designed and constructed an atmospheric chamber to simulate the fate of volatile and semivolatile radioisotopes.

ExaGO, a power grid simulation and optimization platform developed at PNNL is the first of its kind to run on Frontier.

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.

Jingshan Du was named an associate editor of the journal Frontiers for Young Minds, which publishes articles about scientific research for young readers.

A project team at PNNL has been honored with the Project Management Achievement Award for 2022 from the Department of Energy.

A combined experimental and theoretical study identified multiple interactions that affect the performance of redox-active metal oxides for potential electrochemical separation and quantum computing applications.

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

Water affects the intermediates present on the surface of a metal oxide catalyst during ketonization.

Led by PNNL, the new Cathode-Electrolyte Interphase Consortium has been launched, involving 10 national laboratories and 10 universities.

Research.com ranked PNNL joint appointee George Karniadakis as one of the top mathematicians in the world.

Advances in understanding the nature of the chemical bond are featured in this special issue of The Journal of Chemical Physics.

Vrabie co-organized the 2022 Workshop on Artificial Intelligence for Isotope R&D and Production for the Department of Energy Isotope Program.

Variations in burn severity are a key control on the chemical constituents of dissolved organic matter delivered to streams within a single burn perimeter.

PNNL-developed catalytic process and catalyst to upgrade ethanol to sustainable aviation fuel wins American Chemical Society award.

PNNL’s Sameera Horawalavithana joins the journals IEEE Transactions on Artificial Intelligence and Humanities and Social Sciences Communications.

A new nano-optical bioimaging technology in development at PNNL enables researchers to watch climate-bellwether microbes exchange metabolites and other essential signals.