Researchers are preparing to leverage Argonne’s exascale supercomputer and AI to speed up the search for new materials for batteries, catalysts and other applications.

Using ALCF supercomputing resources, a multi-institutional team has introduced a novel approach, called “freedom of design,” that can help accelerate the discovery of new molecules with targeted properties.

Using ALCF computing resources, a team led by scientists from the University of Michigan is advancing tomographic reconstruction algorithms to improve image quality for materials characterization research.