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  • 11
    Book
    Book
    Berlin :Großrechenzentrum für die Wissenschaft,
    Title: QUODOS ein Quellhaltungssystem
    Author: Gaebler, Karin
    Contributer: Roitzsch, Rainer , Grossrechenzentrum für die Wissenschaft in Berlin
    Edition: Stand April 1981; TR 440 (BS3, MV19)
    Publisher: Berlin :Großrechenzentrum für die Wissenschaft,
    Year of publication: 1981
    Pages: 14 S.
    Type of Medium: Book
    Language: German
    Library Location Call Number Volume/Issue/Year Availability
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  • 12
    Book
    Book
    Berlin :Großrechenzentrum für die Wissenschaft,
    Title: Unterprogramme für BCPL-Datentypen
    Author: Roitzsch, Rainer
    Contributer: Fromm, Gerhard , Grossrechenzentrum für die Wissenschaft in Berlin
    Edition: Stand Februar 1981; TR 440 (BS3, MV19), Siemens 7.760 (BS200, Version 5)
    Publisher: Berlin :Großrechenzentrum für die Wissenschaft,
    Year of publication: 1981
    Pages: 38 S.
    Type of Medium: Book
    Language: German
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  • 13
    Book
    Book
    Berlin :Großrechenzentrum für die Wissenschaft,
    Title: Monitor Taschenbuch
    Author: Fromm, Gerhard
    Contributer: Roitzsch, Rainer , Grossrechenzentrum für die Wissenschaft in Berlin
    Edition: Stand: Januar 1981; TR 440 (BS3, MV19)
    Publisher: Berlin :Großrechenzentrum für die Wissenschaft,
    Year of publication: 1981
    Pages: 39 S.
    Type of Medium: Book
    Language: German
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  • 14
    Book
    Book
    Berlin :Großrechenzentrum für die Wissenschaft,
    Title: ERZEUGE-Beschreibung
    Author: Lügger, Joachim
    Contributer: Malesse, Jürgen , Roitzsch, Rainer , Grossrechenzentrum für die Wissenschaft in Berlin
    Edition: Stand: Februar 1981; TR 440 (BS3, MV19), Siemens (BS2000, V5.0)
    Publisher: Berlin :Großrechenzentrum für die Wissenschaft,
    Year of publication: 1981
    Pages: 63 S.
    Type of Medium: Book
    Language: German
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  • 15
    Book
    Book
    Berlin :Großrechenzentrum für die Wissenschaft,
    Title: Monitor Einführung
    Author: Fromm, Gerhard
    Contributer: Roitzsch, Rainer , Grossrechenzentrum für die Wissenschaft in Berlin
    Edition: Stand Januar 1981; TR 440 (BS3, MV19)
    Publisher: Berlin :Großrechenzentrum für die Wissenschaft,
    Year of publication: 1981
    Pages: 57 S.
    Type of Medium: Book
    Language: German
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  • 16
    Publication Date: 2014-02-26
    Description: The breakdown voltage highly depends on the electric field in the depletion area whose computation is the most time consuming part of the simulation. We present a self adaptive Finite Element Method which reduces dramatically the required computation time compared to usual Finite Difference Methods. A numerical example illustrates the efficiency and reliability of the algorithm.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
    Format: application/pdf
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  • 17
    Publication Date: 2019-05-10
    Description: We present a self--adaptive finite element method to solve combustion problems in 1D, 2D, and 3D. An implicit time integrator of Rosenbrock type is coupled with a multilevel approach in space. A posteriori error estimates are obtained by constructing locally higher order solutions involving all variables of the problem. Adaptive strategies such as step size control, spatial refinement and coarsening allow us to get economically an accurate solution. Various examples are presented to demonstrate practical applications of the proposed method.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
    Format: application/postscript
    Format: application/pdf
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  • 18
    Publication Date: 2019-05-10
    Description: In this paper we present a self--adaptive finite element method to solve flame propagation problems in 3D. An implicit time integrator of Rosenbrock type is coupled with a multilevel approach in space. The proposed method is applied to an unsteady thermo--diffusive combustion model to demonstrate its potential for the solution of complicated problems.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
    Format: application/postscript
    Format: application/pdf
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  • 19
    Publication Date: 2019-05-10
    Description: KARDOS solves nonlinear evolution problems in 1, 2, and 3D. An adaptive multilevel finite element algorithm is used to solve the spatial problems arising from linearly implicit discretization methods in time. Local refinement and derefinement techniques are used to handle the development of the mesh over time. The software engineering techniques used to implement the modules of the KASKADE toolbox are reviewed and their application to the extended problem class is described. A notification system and dynamic construction of records are discussed and their values for the implementation of a mesh transfer operation are shown. The need for low-level and high--level interface elements of a module is discussed for the assembling procedure of KARDOS. At the end we will summarize our experiences.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
    Format: application/postscript
    Format: application/pdf
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  • 20
    Publication Date: 2014-02-26
    Description: Statistical methods for analyzing large data sets of molecular configurations within the chemical concept of molecular conformations are described. The strategies are based on dependencies between configurations of a molecular ensemble; the article concentrates on dependencies induces by a) correlations between the molecular degrees of freedom, b) geometrical similarities of configurations, and c) dynamical relations between subsets of configurations. The statistical technique realizing aspect a) is based on an approach suggested by {\sc Amadei et al.} (Proteins, 17 (1993)). It allows to identify essential degrees of freedom of a molecular system and is extended in order to determine single configurations as representatives for the crucial features related to these essential degrees of freedom. Aspects b) and c) are based on statistical cluster methods. They lead to a decomposition of the available simulation data into {\em conformational ensembles} or {\em subsets} with the property that all configurations in one of these subsets share a common chemical property. In contrast to the restriction to single representative conformations, conformational ensembles include information about, e.g., structural flexibility or dynamical connectivity. The conceptual similarities and differences of the three approaches are discussed in detail and are illustrated by application to simulation data originating from a hybrid Monte Carlo sampling of a triribonucleotide.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
    Format: application/postscript
    Format: application/pdf
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