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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.

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.