Comparison of nonlinear conjugate-gradient methods for computing the electronic properties of nanostructure architectures

Stanimire Tomov, Julien Langou, Andrew Canning, Lin Wang Wang, Jack Dongarra

    Research output: Chapter in Book/Conference proceedingConference contribution

    Abstract

    In this article we report on our efforts to test and expand the current state-of-the-art in eigenvalue solvers applied to the field of nanotechnology. We singled out the nonlinear conjugate gradients (CG) methods as the backbone of our efforts for their previous success in predicting the electronic properties of large nanostructures and made a library of three different solvers (two recent and one new) that we integrated into the parallel PESCAN (Parallel Energy SCAN) code [3] to perform a comparison. © Springer-Verlag Berlin Heidelberg 2005.
    Original languageEnglish
    Title of host publicationLecture Notes in Computer Science|Lect. Notes Comput. Sci.
    EditorsV.S. Sunderam, G.D. Albada, P.M.A. Sloot, J.J. Dongarra
    PublisherSpringer Nature
    Pages317-325
    Number of pages8
    Volume3516
    DOIs
    Publication statusPublished - 2005
    Event5th International Conference on Computational Science - ICCS 2005 - Atlanta, GA
    Duration: 1 Jul 2005 → …

    Publication series

    NameLecture Notes in Computer Science

    Conference

    Conference5th International Conference on Computational Science - ICCS 2005
    CityAtlanta, GA
    Period1/07/05 → …

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