• DocumentCode
    3861725
  • Title

    Parallel methods and tools for predicting material properties

  • Author

    A. Stathopoulos;S. Ogut;Y. Saad;J. Chelikowsky;H. Kim

  • Author_Institution
    Dept. of Comput. Sci., Coll. of William & Mary, Williamsburg, VA, USA
  • Volume
    2
  • Issue
    4
  • fYear
    2000
  • Firstpage
    19
  • Lastpage
    32
  • Abstract
    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.
  • Keywords
    "Material properties","Electrons","Chemicals","Silicon","Schrodinger equation","Nuclear electronics","Optical sensors","Atom optics","Eigenvalues and eigenfunctions","Atomic measurements"
  • Journal_Title
    Computing in Science & Engineering
  • Publisher
    ieee
  • ISSN
    1521-9615
  • Type

    jour

  • DOI
    10.1109/5992.852388
  • Filename
    852388
    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=49&DC=3861725