APRIL 25, 2024 Article Co-Designing the Future of Computational Chemistry New research informs the development of foundational models for computational chemistry through hardware-software co-design. ( Read More )
DECEMBER 1, 2023 Article Joining Forces for Trustworthy Artificial Intelligence PNNL is one of the founding partners of the Trillion Parameter Consortium, which was formed to create reliable generative AI models. ( Read More )
DECEMBER 1, 2023 Article Modeling the Movement of Impurities in Molten Uranium A team of scientists at PNNL developed new computational models to predict the behavior of these impurities and reduce the expense and risk related to actinide metal production. ( Read More )
JUNE 22, 2023 Article PNNL’s Computational Chemistry Software Joins a New Quantum Platform Computational chemistry libraries from NWChem, NWChemEX, SPEC, and more are now available on Azure Quantum Elements. ( Read More )
APRIL 13, 2023 Article The Nature of the Chemical Bond Advances in understanding the nature of the chemical bond are featured in this special issue of The Journal of Chemical Physics. ( Read More )
