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NCCS Director Arjun Shankar gives an update on the facility’s next high-performance computing system during the OLCF User Meeting on Sept. 10, 2024.   Credit: Kurt Weiss/ORNL, U.S. Dept. of Energy

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.

Conceptual art shown here depicts a ligand adapting to its environment.

Researchers at the Department of Energy’s Oak Ridge National Laboratory have found a chemical “chameleon” that could improve the process used to purify rare-earth metals used in clean energy, medical and national security applications.

ORNL scientists used molecular dynamics simulations, exascale computing, lab testing and analysis to accelerate the development of an energy-saving method to produce nanocellulosic fibers.

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.

Illustration of oscillating UCI3 bonds

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. 

ORNL researchers Tom Beck, left, Sarp Oral and Rafael Ferreira da Silva have proposed a strategy for integrating classical supercomputers such as Frontier, the world’s first exascale computer, with the emerging field of quantum computing.

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.

solid-state electrolyte to double as energy storage in a car

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. 

Quantum computing experts gather for fifth annual user forum at Oak Ridge National Laboratory

The Quantum Computing User Forum welcomed attendees for a dynamic event at ORNL. The annual user meeting brought the cohort together to highlight results and discuss common practices in the development of applications and software for quantum computing systems.

Environmentally friendly amino acids

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. 

Weyl semimetal

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.

Benjamin Manard

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.