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Illustration of melting point of lithium chloride, which is shown with green and blue structures in two rows.

Scientists have developed a new machine learning approach that accurately predicted critical and difficult-to-compute properties of molten salts, materials with diverse nuclear energy applications. 

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.

A Univ. of Michigan-led team used Frontier, the world’s first exascale supercomputer, to simulate a system of nearly 75,000 magnesium atoms at near-quantum accuracy. Credit: SC23

 

A team of eight scientists won the Association for Computing Machinery’s 2023 Gordon Bell Prize for their study that used the world’s first exascale supercomputer to run one of the largest simulations of an alloy ever and achieve near-quantum accuracy.

The CrossVis application includes a parallel coordinates plot (left), a tiled image view (right) and other interactive data views. Credit: Chad Steed/Oak Ridge National Laboratory, U.S. Dept. of Energy

From materials science and earth system modeling to quantum information science and cybersecurity, experts in many fields run simulations and conduct experiments to collect the abundance of data necessary for scientific progress.

XACC enables the programming of quantum code alongside standard classical code and integrates quantum computers from a number of vendors. This animation illustrates how QPUs complete calculations and return results to the host CPU, a process that could drastically accelerate future scientific simulations. Credit: Michelle Lehman/Oak Ridge National Laboratory, U.S. Dept. of Energy

In the early 2000s, high-performance computing experts repurposed GPUs — common video game console components used to speed up image rendering and other time-consuming tasks