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Energy Department to Invest $16 Million in Computer Design of Materials


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aul Kent of Oak Ridge National Laboratory directs the Center for Predictive Simulation of Functional Materials.

The U.S. Department of Energy plans to invest $16 million to accelerate the design of new materials that could revolutionize applications in alternative and renewable energy, electronics, and a wide range of other fields.

Credit: Oak Ridge National Laboratory

The U.S. Department of Energy (DoE) will invest $16 million over the next four years to accelerate the design of new materials that could revolutionize applications in alternative and renewable energy, electronics, and a wide range of other fields.

The DoE's Oak Ridge National Laboratory and Lawrence Berkeley National Laboratory (LBNL) will lead two projects that will use the agency's superfast computing resources to develop sophisticated and user-friendly open source software that can capture the essential physics of relevant systems.

The broader research community and industry will be able to use the software to accelerate the design of new functional materials.

Researchers will likely use the 30-petaflop/second Cori supercomputer now being installed at the National Energy Research Scientific Computing Center at LBNL, the 27-petaflop/second Titan computer at the Oak Ridge Leadership Computing Facility, and the 10-petaflop/second Mira computer at Argonne Leadership Computing Facility. A new generation of supercomputers also is scheduled for deployment between this year and 2019, which will take peak performance as high as 200 petaflops.

The new software is expected to evolve to run on exascale machines, capable of 1,000 petaflops and projected for deployment in the mid-2020s.

From Oak Ridge National Laboratory
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