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A new initiative aims to help scientists characterize and catalog material properties and develop computational tools to assess and predict them.
with additional partners from the Uni-
versity of Tennessee and Ames Lab-
oratory, and make use of computing
capabilities at three DOE Office of
Science User Facilities—the National
Energy Research Scientific Comput-
ing Center at DOE’s Lawrence Berkeley
National Laboratory, and the DOE Lead-
ership Computing Facilities at Argonne
and Oak Ridge National Laboratories.
The
Brookhaven
Center
for
Computational Design of Functional
Strongly Correlated Materials & The-
oretical Spectroscopy is one of three
new efforts funded by DOE for compu-
tational materials science. The others
are the Midwest Integrated Center for
Computational Materials, based at
Argonne, and the Computational Syn-
thesis of Materials Software Project
with Validation on Layered Low Dimen-
sional Functional Materials and Ultra-
Fast X-Ray Laser Experiments, led by
University of Southern California with
partners at Berkeley Lab, SLAC, and
other institutions.
The mission of the Brookhaven/
Rutgers team is to develop next-
generation methods and software to
accurately describe electronic prop-
erties in complex strongly correlated
materials—such as high-temperature
superconductors and high-performance
thermoelectrics—alongwithadatabase to
help scientists predict targeted properties
with energy-related applications.
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