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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 illustration demonstrates how atomic configurations with an equiatomic concentration of niobium (Nb), tantalum (Ta) and vanadium (V) can become disordered. The AI model helps researchers identify potential atomic configurations that can be used as shielding for housing fusion applications in a nuclear reactor. Credit: Massimiliano Lupo Pasini/ORNL, U.S. Dept. of Energy

A study led by the Department of Energy’s Oak Ridge National Laboratory details how artificial intelligence researchers created an AI model to help identify new alloys used as shielding for housing fusion applications components in a nuclear reactor. The findings mark a major step towards improving nuclear fusion facilities.

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. 

Exploding stars, a glowing light

Scientists have determined that a rare element found in some of the oldest solids in the solar system, such as meteorites, and previously thought to have been forged in supernova explosions, actually predate such cosmic events, challenging long-held theories about its origin.

This is an image of a man sitting at a computer with three screens.

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.

Digital image of molecules would look like. There are 10 clusters of these shapes in grey, red and blue with a teal blue background

Oak Ridge National Laboratory scientists have developed a method leveraging artificial intelligence to accelerate the identification of environmentally friendly solvents for industrial carbon capture, biomass processing, rechargeable batteries and other applications.

Colorful circles with symbols of Vc, Vh and Vt inside. Blue, Orange and Pink

Researchers used quantum simulations to obtain new insights into the nature of neutrinos — the mysterious subatomic particles that abound throughout the universe — and their role in the deaths of massive stars.

Woman is standing at podium holding a gavel in the air.

In May, the Department of Energy’s Oak Ridge and Brookhaven national laboratories co-hosted the 15th annual International Particle Accelerator Conference, or IPAC, at the Music City Center in Nashville, Tennessee. 

ORNL researcher Louise Evans is working to ensure safeguards approaches and verification technologies are integrated early in the design process of advanced reactor technologies. Credit: Carlos Jones/ORNL, U.S. Dept. of Energy

Researchers tackling national security challenges at ORNL are upholding an 80-year legacy of leadership in all things nuclear. Today, they’re developing the next generation of technologies that will help reduce global nuclear risk and enable safe, secure, peaceful use of nuclear materials, worldwide.

Frontier supercomputer sets new standard in molecular simulation

When scientists pushed the world’s fastest supercomputer to its limits, they found those limits stretched beyond even their biggest expectations. In the latest milestone, a team of engineers and scientists used Frontier to simulate a system of nearly half a trillion atoms — the largest system ever modeled and more than 400 times the size of the closest competition.