Bringing Chemistry to Exascale: Argonne’s Aurora Gears Up for Deep Catalyst Exploration

Figure of representative molecules calculated on the surface of Copper(111).

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.

The post Bringing Chemistry to Exascale: Argonne’s Aurora Gears Up for Deep Catalyst Exploration appeared first on HPCwire.

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