Quantum precision reached in modeling molten salt behavior
Researchers for the first time documented the specific chemistry dynamics and structure of high-temperature liquid uranium trichloride salt, a potential nuclear fuel source for next-generation reactors.
Nuclear physicists at the Department of Energy’s Oak Ridge National Laboratory recently used Frontier, the world’s most powerful supercomputer, to calculate the magnetic properties of calcium-48’s atomic nucleus.
A study by more than a dozen scientists at the Department of Energy’s Oak Ridge National Laboratory examines potential strategies to integrate quantum computing with the world’s most powerful supercomputing systems in the pursuit of science.
To speed the arrival of the next-generation solid-state batteries that will power electric vehicles and other technologies, scientists led by ORNL advanced the development of flexible, durable sheets of electrolytes. They used a polymer to create a strong yet springy thin film that binds electrolytic particles and at least doubles energy storage.
Researchers at ORNL have demonstrated that small molecular tweaks to surfaces can improve absorption technology for direct air capture of carbon dioxide. The team added a charged polymer layer to an amino acid solution, and then, through spectroscopy and simulation, found that the charged layer can hold amino acids at its surface.
Benjamin Manard, an analytical chemist in the Chemical Sciences Division of the Department of Energy’s Oak Ridge National Laboratory, will receive the 2024 Lester W. Strock Award from the Society of Applied Spectroscopy.
Five researchers at the Department of Energy’s Oak Ridge National Laboratory recently completed an eight-week pilot commercialization coaching program as part of Safari, a program funded by DOE’s Office of Technology Transitions, or OTT, Practices to Accelerate the Commercialization of Technologies, or PACT.
The world’s fastest supercomputer helped researchers simulate synthesizing a material harder and tougher than a diamond — or any other substance on Earth. The study used Frontier to predict the likeliest strategy to synthesize such a material, thought to exist so far only within the interiors of giant exoplanets, or planets beyond our solar system.
A team of federal contractor and national laboratory engineers and scientists from the U.S. Department of Energy Office of Environmental Management has been nationally distinguished as “Heroes of Chemistry” for making the world better through their effort, ingenuity, creativity and perseverance.
Researchers conduct largest, most accurate molecular dynamics simulations to date of two million correlated electrons using Frontier, the world’s fastest supercomputer. The simulation, which exceed an exaflop using full double precision, is 1,000 times greater in size and speed than any quantum chemistry simulation of it's kind.