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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.
Researchers at Oak Ridge National Laboratory have developed a modeling method that uses machine learning to accurately simulate electric grid behavior while protecting proprietary equipment details. The approach overcomes a key barrier to accurate grid modeling, helping utilities plan for future demand and prevent blackouts.
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.
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.
Dave Weston studies how microorganisms influence plant health and stress tolerance, using the Advanced Plant Phenotyping Laboratory to accelerate research on plant-microbe interactions and develop resilient crops for advanced fuels, chemicals and
A workshop led by scientists at ORNL sketched a road map toward a longtime goal: development of autonomous, or self-driving, next-generation research laboratories.
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.