JANUARY 17, 2025 Article Democratizing Computational Chemistry with the Cloud PNNL Program Development Office Director Karl Mueller explains how the TEC4 project seeks to make advanced chemical computations accessible to all. ( Read More )
JANUARY 10, 2025 Article New AI Agent Connects Computer Reasoning with Chemistry CACTUS provides AI-powered cheminformatics for autonomous science. ( Read More )
NOVEMBER 7, 2024 Article Longtime PNNL Collaborator Received Nobel Prize University of Washington Professor David Baker won the 2024 Nobel Prize in Chemistry for computational protein design. ( Read More )
AUGUST 22, 2024 Article Novel Computing Tool Learns the Language of Chemistry ChemReasoner combines decades of chemistry knowledge with large language models to propose strategies for effective new catalysts. ( Read More )
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 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 )
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 )
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 )
