Case closed: Neutrons settle 40-year debate on enzyme for drug design
The Oak Ridge Leadership Computing Facility welcomed users to an interactive meeting at the Department of Energy’s Oak Ridge National Laboratory from Sept. 10–11 for an opportunity to share achievements from the OLCF’s user programs and highlight requirements for the future.
Daryl Yang is coupling his science and engineering expertise to devise new ways to measure significant changes going on in the Arctic, a region that’s warming nearly four times faster than other parts of the planet. The remote sensing technologies and modeling tools he develops and leverages for the Next-Generation Ecosystem Experiments in the Arctic project, or NGEE Arctic, help improve models of the ecosystem to better inform decision-making as the landscape changes.
A team led by scientists at ORNL identified and demonstrated a method to process a plant-based material called nanocellulose that reduced energy needs by a whopping 21%, using simulations on the lab’s supercomputers and follow-on analysis.
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.
At ORNL, a group of scientists used neutron scattering techniques to investigate a relatively new functional material called a Weyl semimetal. These Weyl fermions move very quickly in a material and can carry electrical charge at room temperature. Scientists think that Weyl semimetals, if used in future electronics, could allow electricity to flow more efficiently and enable more energy-efficient computers and other electronic devices.
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.
Brian Sanders is focused on impactful, multidisciplinary science at Oak Ridge National Laboratory, developing solutions for everything from improved imaging of plant-microbe interactions that influence ecosystem health to advancing new treatments for cancer and viral infections.
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.
In the wet, muddy places where America’s rivers and lands meet the sea, scientists from the Department of Energy’s Oak Ridge National Laboratory are unearthing clues to better understand how these vital landscapes are evolving under climate change.