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Image of Giuseppe Barca looking at two computer monitors, representing the team using Frontier to perform the first quantum chemistry calculations to exceed an exaflop.

Researchers led by the University of Melbourne, Australia, have been nominated for the Association for Computing Machinery’s 2024 Gordon Bell Prize in supercomputing for conducting a quantum molecular dynamics simulation 1,000 times greater in size and speed than any previous simulation of its kind.

This is a simulated image of the project to build a new network that artificial intelligence and machine learning to steer experiments and analyze data faster and more accurately. will enable

To bridge the gap between experimental facilities and supercomputers, experts from SLAC National Accelerator Laboratory are teaming up with other DOE national laboratories to build a new data streaming pipeline. The pipeline will allow researchers to send their data to the nation’s leading computing centers for analysis in real time even as their experiments are taking place. 

Illustration of a hydrogen atom.

Scientists at ORNL used neutrons to end a decades-long debate about an enzyme cancer uses.

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. 

The Frontier supercomputer simulated magnetic responses inside calcium-48, depicted by red and blue spheres. Insights into the nucleus’s fundamental forces could shed light on supernova dynamics.

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. 

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. 

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.