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Game-changing quantum chemistry calculations on Frontier earn Gordon Bell Prize

The 2024 Gordon Bell Prize goes to researchers led by the University of Melbourne for using the Frontier supercomputer to conduct a quantum molecular dynamics simulation 1,000 times greater in size and speed than any previous simulation of its kind. Credit: SC24

This year’s Association for Computing Machinery’s Gordon Bell Prize in supercomputing goes to researchers led by the University of Melbourne who used the Frontier supercomputer to conduct a quantum molecular dynamics simulation 1,000 times greater in size and speed than any previous simulation of its kind.

The team also includes researchers from AMD, QDX, and the Department of Energy’s Oak Ridge National Laboratory. Using Frontier, the world’s most powerful supercomputer at the time, the team calculated a system containing more than 2 million correlated electrons. The winners were announced on Nov. 21 at the 2024 Supercomputing Conference in Atlanta, Georgia.

“It’s a privilege to receive this prestigious award,” said Giuseppe Barca, an associate professor at the University of Melbourne and lead researcher of the team. “This achievement reflects the extraordinary effort of an international collaboration, and we are committed to further advancing the frontiers of scientific computing to address critical challenges in chemistry, biology, and beyond.”

Read more about the project here.