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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.
Stronger than steel and lighter than aluminum, carbon fiber is a staple in aerospace and high-performance vehicles — and now, scientists at ORNL have found a way to make it even stronger.
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.
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.
During his first visit to Oak Ridge National Laboratory, Energy Secretary Chris Wright compared the urgency of the Lab’s World War II beginnings to today’s global race to lead in artificial intelligence, calling for a “Manhattan Project 2.”
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.
Neus Domingo Marimon, leader of the Functional Atomic Force Microscopy group at the Center for Nanophase Materials Sciences of ORNL, has been elevated to senior member of the Institute of Electrical and Electronics Engineers.
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.
P&G is using simulations on the ORNL Summit supercomputer to study how surfactants in cleaners cause eye irritation. By modeling the corneal epithelium, P&G aims to develop safer, concentrated cleaning products that meet performance and safety standards while supporting sustainability goals.