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High Performance Computing in Science and Engineering ´16

Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2016

  • Conference proceedings
  • © 2016

Overview

Editors:
  1. Wolfgang E. Nagel

    1. Zentrum für Informationsdienste und Hochleistungsrechnen (ZIH), Technische Universität Dresden, Dresden, Germany

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  2. Dietmar H. Kröner

    1. Abteilung für Angewandte Mathematik, Universität Freiburg, Freiburg, Germany

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  3. Michael M. Resch

    1. Höchstleistungsrechenzentrum Stuttgart (HLRS), Universität Stuttgart, Stuttgart, Germany

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Table of contents (45 papers)

  1. Front Matter

    Pages i-ix
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  2. Physics

    1. Front Matter

      Pages 1-3
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    2. The Illustris++ Project: The Next Generation of Cosmological Hydrodynamical Simulations of Galaxy Formation

      • Volker Springel, Annalisa Pillepich, Rainer Weinberger, Rüdiger Pakmor, Lars Hernquist, Dylan Nelson et al.
      Pages 5-20

    3. Hydrangea: Simulating a Representative Population of Massive Galaxy Clusters

      • Yannick M. Bahé, for the C-EAGLE collaboration
      Pages 21-32

    4. PAMOP Project: Computations in Support of Experiments and Astrophysical Applications

      • B. M. McLaughlin, C. P. Ballance, M. S. Pindzola, P. C. Stancil, S. Schippers, A. Müller
      Pages 33-48

    5. Estimation of Nucleation Barriers from Simulations of Crystal Nuclei Surrounded by Fluid in Equilibrium

      • Antonia Statt, Peter Koß, Peter Virnau, Kurt Binder
      Pages 49-59

    6. The Internal Dynamics and Early Adsorption Stages of Fibrinogen Investigated by Molecular Dynamics Simulations

      • Stephan Köhler, Friederike Schmid, Giovanni Settanni
      Pages 61-78

    7. Vorticity, Variance, and the Vigor of Many-Body Phenomena in Ultracold Quantum Systems: MCTDHB and MCTDH-X

      • Ofir E. Alon, Raphael Beinke, Lorenz S. Cederbaum, Matthew J. Edmonds, Elke Fasshauer, Mark A. Kasevich et al.
      Pages 79-96

    8. Nucleon Observables as Probes for Physics Beyond the Standard Model

      • Constantia Alexandrou, Karl Jansen, Giannis Koutsou, Carsten Urbach
      Pages 97-105

    9. Numerical Evaluation of Multi-loop Feynman Integrals

      • Peter Marquard, Matthias Steinhauser
      Pages 107-112

  3. Molecules, Interfaces, and Solids

    1. Front Matter

      Pages 113-116
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    2. Mechanochemistry of Ring-Opening Reactions: From Cyclopropane in the Gas Phase to Thiotic Acid on Gold in the Liquid Phase

      • Martin Zoloff Michoff, Miriam Wollenhaupt, Dominik Marx
      Pages 117-130

    3. Microscopic Insights into the Fluorite/Water Interfaces from Vibrational Sum Frequency Generation Spectroscopy

      • Rémi Khatib, Marialore Sulpizi
      Pages 131-143

    4. Growth, Structural and Electronic Properties of Functional Semiconductors Studied by First Principles

      • Andreas Stegmüller, Phil Rosenow, Lisa Pecher, Nikolay Zaitsev, Ralf Tonner
      Pages 145-162

    5. Submonolayer Rare Earth Silicide Thin Films on the Si(111) Surface

      • S. Sanna, C. Dues, U. Gerstmann, E. Rauls, D. Nozaki, A. Riefer et al.
      Pages 163-175

    6. Computational Analysis of Li Diffusion in NZP-Type Materials by Atomistic Simulation and Compositional Screening

      • Daniel Mutter, Britta Lang, Benedikt Ziebarth, Daniel Urban, Christian Elsässer
      Pages 177-187

    7. Molecular Dynamics Simulations of Silicon: The Influence of Electron-Temperature Dependent Interactions

      • Alexander Kiselev, Johannes Roth, Hans-Rainer Trebin
      Pages 189-202

    8. Non-linear Quantum Transport in Interacting Nanostructures

      • Benedikt Schoenauer, Peter Schmitteckert
      Pages 203-225

  4. Reactive Flows

    1. Front Matter

      Pages 227-228
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    2. A DNS Analysis of the Correlation of Heat Release Rate with Chemiluminescence Emissions in Turbulent Combustion

      • Feichi Zhang, Thorsten Zirwes, Peter Habisreuther, Henning Bockhorn
      Pages 229-243
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Keywords

About this book

This book presents the state-of-the-art in supercomputer simulation. It includes the latest findings from leading researchers using systems from the High Performance Computing Center Stuttgart (HLRS) in 2016. The reports cover all fields of computational science and engineering ranging from CFD to computational physics and from chemistry to computer science with a special emphasis on industrially relevant applications. Presenting findings of one of Europe’s leading systems, this volume covers a wide variety of applications that deliver a high level of sustained performance.

The book covers the main methods in high-performance computing. Its outstanding results in achieving the best performance for production codes are of particular interest for both scientists and engineers. The book comes with a wealth of color illustrations and tables of results.

Editors and Affiliations

  • Zentrum für Informationsdienste und Hochleistungsrechnen (ZIH), Technische Universität Dresden, Dresden, Germany

    Wolfgang E. Nagel

  • Abteilung für Angewandte Mathematik, Universität Freiburg, Freiburg, Germany

    Dietmar H. Kröner

  • Höchstleistungsrechenzentrum Stuttgart (HLRS), Universität Stuttgart, Stuttgart, Germany

    Michael M. Resch

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