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More than a year ago, ORNL computational scientists raised concerns about the accuracy of using a 2-femtosecond time step in liquid water simulations. A new study confirms and deepens those concerns, revealing even greater potential for error than previously thought.
Scientists have developed a new machine learning approach that accurately predicted critical and difficult-to-compute properties of molten salts, materials with diverse nuclear energy applications.
Using the now-decommissioned Summit supercomputer, researchers at ORNL ran the largest and most accurate molecular dynamics simulations yet of the interface between water and air during a chemical reaction. The simulations have uncovered how water controls such chemical reactions by dynamically coupling with the molecules involved in the process.
Jesse Labbé aims to leverage biology, computation and engineering to address societal challenges related to energy, national security and health, while enhancing U.S. competitiveness. Labbé emphasizes the importance of translating groundbreaking research into practical applications that have real-world impact.
ORNL researchers helped introduce college students to quantum computing for the first time during the 2025 Winter Classic Invitational, providing hands-on access to real quantum hardware and training future high-performance computing users through a unique challenge that bridged classical and quantum technologies.
Scientists at the Department of Energy’s Oak Ridge National Laboratory recently welcomed Vanderbilt University colleagues for a symposium on basic science research, with a focus on potential collaborations in the biomedical and biotechnology spaces.
Daniel Jacobson, distinguished research scientist in the Biosciences Division at ORNL, has been elected a Fellow of the American Institute for Medical and Biological Engineering, or AIMBE, for his achievements in computational biology.
Researchers at Georgia State University used the Summit supercomputer to study an elaborate molecular pathway called nucleotide excision repair. Decoding NER’s sophisticated sequence of events and the role of PInC in the pathway could provide key insights into developing novel treatments and preventing conditions that lead to premature aging and certain types of cancer.
Hugh O’Neill’s lifelong fascination with the complexities of the natural world drives his research at ORNL, where he’s using powerful neutron beams to dive deep into the microscopic realm of biological materials and unlock secrets for better production of domestic biofuels and bioproducts.
By editing the polymers of discarded plastics, ORNL chemists have found a way to generate new macromolecules with more valuable properties than those of the starting material.