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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.

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.

Image with a grey and black backdrop - in front is a diamond with two circles coming out from it, showing the insides.

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.

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.

Man in a blue polo is standing over blue water

ORNL researchers completed successful testing of a gallium nitride transistor for use in more accurate sensors operating near the core of a nuclear reactor. This is an important technical advance particularly for monitoring new, compact.

Man in blue shirt and grey pants holds laptop and poses next to a green plant in a lab.

John Lagergren, a staff scientist in Oak Ridge National Laboratory’s Plant Systems Biology group, is using his expertise in applied math and machine learning to develop neural networks to quickly analyze the vast amounts of data on plant traits amassed at ORNL’s Advanced Plant Phenotyping Laboratory.

A team led by Oak Ridge National Laboratory researchers used Frontier to explore training strategies for one of the largest artificial intelligence models to date. Credit: Getty Images

A team led by researchers at ORNL explored training strategies for one of the largest artificial intelligence models to date with help from the world’s fastest supercomputer. The findings could help guide training for a new generation of AI models for scientific research.
 

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.

Architects of the Adaptable IO System, seen here with Frontier's Orion file system: Scott Klasky, left, heads the ADIOS project and leads ORNL's Workflow Systems group, and Norbert Podhorszki, an ORNL computer scientist, oversees ADIOS's continuing development. Credit: Genevieve Martin/ORNL, U.S. Dept. of Energy

Integral to the functionality of ORNL's Frontier supercomputer is its ability to store the vast amounts of data it produces onto its file system, Orion. But even more important to the computational scientists running simulations on Frontier is their capability to quickly write and read to Orion along with effectively analyzing all that data. And that’s where ADIOS comes in.

Prasanna Balaprakash, who leads ORNL’s AI Initiative, participated in events hosted by the White House Office of Science and Technology Policy and the Task Force on American Innovation to discuss the challenges and opportunities posed by AI. Credit: Brian Mosley/Computing Research Association

In summer 2023, ORNL's Prasanna Balaprakash was invited to speak at a roundtable discussion focused on the importance of academic artificial intelligence research and development hosted by the White House Office of Science and Technology Policy and the U.S. National Science Foundation.