VIRTUE : integrating CFD ship design

Novel ship concepts, increasing size and speed, and strong competition in the global maritime market require that a ship's hydrodynamic performance be studied at the highest level of sophistication. All hydrodynamic aspects need to be considered so as to optimize trade-offs between resistance, propulsion (and cavitation), seakeeping or manoeuvring. VIRTUE takes a holistic approach to hydrodynamic design and focuses on integrating advanced CFD tools in a software platform that can control and launch multi-objective hydrodynamic design projects. In this paper current practice, future requirements and a potential software integration platform are presented. The necessity of parametric modelling as a means of effectively generating and efficiently varying geometry, and the added-value of advanced visualization, is discussed. An illustrating example is given as a test case, a container carrier investigation, and the requirements and a proposed architecture for the platform are outlined

Konrad-Zuse-Zentrum fuer Informationstechnik Berlin. Jahresbericht 1996

Available from TIB Hannover: ZO 8946(1996) / FIZ - Fachinformationszzentrum Karlsruhe / TIB - Technische InformationsbibliothekSIGLEDEGerman

Konrad-Zuse-Zentrum fuer Informationstechnik Berlin (ZIB). Jahresbericht 1997

Available from TIB Hannover: ZO 8946(1997) / FIZ - Fachinformationszzentrum Karlsruhe / TIB - Technische InformationsbibliothekSIGLEDEGerman

Konrad-Zuse-Zentrum fuer Informationstechnik Berlin (ZIB). Jahresbericht 2001

Available from TIB Hannover / FIZ - Fachinformationszzentrum Karlsruhe / TIB - Technische InformationsbibliothekSIGLEDEGerman

From simulation data to conformational ensembles: structure and dynamics based methods

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 induced 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 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 conformational ensembles or 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. (orig.)SIGLEAvailable from TIB Hannover: RO 9693(98-36)+a / FIZ - Fachinformationszzentrum Karlsruhe / TIB - Technische InformationsbibliothekDeutsche Forschungsgemeinschaft (DFG), Bonn (Germany)DEGerman

Konrad-Zuse-Zentrum fuer Informationstechnik Berlin (ZIB). Jahresbericht 2000

SIGLEAvailable from TIB Hannover: ZO 8943(2000) / FIZ - Fachinformationszzentrum Karlsruhe / TIB - Technische InformationsbibliothekDEGerman

Standardgehirn. Teilprojekt: 3D-Oberflaechenrekonstruktion, Visualisierung und Analyse von Nervenzellen Schlussbericht

SIGLEAvailable from TIB Hannover: DtF QN1(94,48) / FIZ - Fachinformationszzentrum Karlsruhe / TIB - Technische InformationsbibliothekBundesministerium fuer Bildung, Wissenschaft, Forschung und Technologie, Bonn (Germany)DEGerman

Konrad-Zuse-Zentrum fuer Informationstechnik Berlin. Jahresbericht 1995

Available from TIB Hannover / FIZ - Fachinformationszzentrum Karlsruhe / TIB - Technische InformationsbibliothekSIGLEDEGerman

Konrad-Zuse-Zentrum fuer Informationstechnik Berlin. Jahresbericht 1994

Available from TIB Hannover: ZO 8946(1994) / FIZ - Fachinformationszzentrum Karlsruhe / TIB - Technische InformationsbibliothekSIGLEDEGerman

Datenabhaengigkeitsanalyse und Programmtransformationen auf CRAY-Rechnern mit dem FORTRAN-Praeprozessor fpp

TIB Hannover: RO 9118(90-4) / FIZ - Fachinformationszzentrum Karlsruhe / TIB - Technische InformationsbibliothekSIGLEDEGerman