JULY 21, 2025 Feature Laying the Groundwork for a Quantum Leap in Chemistry Quantum computing promises leaps in chemistry and materials science, and PNNL is preparing to realize its potential with a collaborative approach. ( Read More )
MARCH 18, 2025 Feature Researchers Put Frontier AI Models Through Paces to See What Sticks at AI Jam Nine national laboratories, including PNNL, bring together over 1,000 scientists for a day to use AI to accelerate scientific discovery. ( Read More )
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 17, 2025 Feature Flow Across Scales with a Quantum Computing Boost A potential quantum advantage for fluid dynamics simulations from molecular to atmospheric scales with a new formula for success. ( 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 )
OCTOBER 28, 2024 Feature Collaboration Speeds Complex Chemical Modeling Calculating quantum chemistry quickly allows scientists to refine their understanding of complex chemical systems. ( Read More )
SEPTEMBER 10, 2024 Feature Three PNNL Researchers Receive DOE Early Career Research Awards Three PNNL researchers will receive five continuous years of funding for projects through highly competitive DOE Early Career Research Program awards. ( 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 )
MAY 9, 2024 Feature Designer Peptoids Mimic Nature’s Helices PNNL researchers learn to control peptoid “handedness,” one key to precision drug delivery and diagnostics. ( 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 )
APRIL 3, 2024 Feature Computational Chemistry Needs To Be Sustainable, Too As new paradigms in advanced computing take shape, computational chemistry researchers are finding new ways to solve challenging chemistry problems. ( 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 )
OCTOBER 26, 2023 Feature Hydrogen Energy for Guam Using Seawater Electrolysis Converting seawater into hydrogen fuel using electrochemistry offers a renewable energy future for Guam. ( Read More )
JUNE 27, 2023 Feature Chemists Are on the Hunt for the Other 99 Percent PNNL scientists are creating new ways to learn more about the vast sea of chemicals that haven't been identified—yet. ( 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 )
JUNE 13, 2023 Feature When Materials Discovery Glitters Researchers created the first open-source database of exotic materials eyed for use in quantum applications. ( 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 )
OCTOBER 28, 2021 Feature Catalyzing a Sustainable Future PNNL researchers are studying catalysts that are key to dealing with waste and producing sustainable energy. ( Read More )
