Aurora Early Science Program: Speeding Up Discovery of New Catalysts for Clean Energy

As part of an Aurora Early Science project, researchers are developing exascale software tools to enable the design of new chemicals and chemical processes for clean energy production.

The U.S. Department of Energy’s (DOE) Argonne National Laboratory is building one of the nation’s first exascale systems, Aurora. To prepare codes for the architecture and scale of the new supercomputer, 15 research teams are taking part in the Aurora Early Science Program (ESP) through the Argonne Leadership Computing Facility (ALCF), a DOE Office of Science user facility. With access to pre-production time on the system, these researchers will be among the first in the world to use Aurora for science.  

Catalysts are at the heart of industrial chemistry, and industrial chemistry is at the heart of the production of cleaner, more abundant energy. So it should be no surprise that research dedicated to understanding catalysts at the atomic and molecular level is of great importance to the nation.

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Article courtesy of Argonne National Laboratory, Argonne Leadership Computing Facility