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Parallel Methods and Tools for Predicting Material Properties
July/August 2000 (vol. 2 no. 4)
pp. 19-32
The authors present a parallel implementation of an electronic-structure application on the Cray T3D and T3E. This implementation has enabled the authors to perform some breakthrough calculations-for example, predicting the optical properties of systems on the order of 1,000 atoms from first principles.
Citation:
Andreas Stathopoulos, Serdar Ögüt, Yousef Saad, James Chelikowsky, Hanchul Kim, "Parallel Methods and Tools for Predicting Material Properties," Computing in Science and Engineering, vol. 2, no. 4, pp. 19-32, July-Aug. 2000, doi:10.1109/5992.852388
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