High Performance Computing in Science and Engineering ‘13

1. Front Matter

   Pages i-xiii

   PDF

2. Physics

   1. Front Matter

      Pages 1-4

      PDF

   2. A Dissipative-Particle-Dynamics Model for Simulating Dynamics of Charged Colloids

      • Jiajia Zhou, Friederike Schmid

      Pages 5-18

   3. Phase Separation of Colloid Polymer Mixtures Under Confinement

      • Antonia Statt, Alexander Winkler, Peter Virnau, Kurt Binder

      Pages 19-31

   4. Heterogeneous and Homogeneous Crystallization of Soft Spheres in Suspension

      • Dominic Roehm, Kai Kratzer, Axel Arnold

      Pages 33-52

   5. Simplified Models for Coarse-Grained Hemodynamics Simulations

      • J. Harting, F. Janoschek, B. Kaoui, T. Krüger, F. Toschi

      Pages 53-64

   6. Report: Thermodynamics with \(2 + 1 + 1\) Dynamical Quark Flavors

      • Stefan Krieg

      Pages 65-72

   7. Unconventional Fractionalization of Strongly Correlated Electrons

      • A. Moreno, J. M. P. Carmelo, A. Muramatsu

      Pages 73-80

   8. Numerically-Exact Schrödinger Dynamics of Closed and Open Many-Boson Systems with the MCTDHB Package

      • Axel U. J. Lode, Kaspar Sakmann, Rostislav A. Doganov, Julian Grond, Ofir E. Alon, Alexej I. Streltsov et al.

      Pages 81-92

   9. Lithium Niobate Dielectric Function and Second-Order Polarizability Tensor From Massively Parallel Ab Initio Calculations

      • A. Riefer, M. Rohrmüller, M. Landmann, S. Sanna, E. Rauls, N. J. Vollmers et al.

      Pages 93-104

   10. Acoustic and Elastic Full Waveform Tomography

       • A. Kurzmann, S. Butzer, S. Jetschny, A. Przebindowska, L. Groos, M. Schäfer et al.

       Pages 105-122

   11. Particle Simulation in Turbulent Plasmas with Amplified Wavemodes

       • Sebastian Lange, Felix Spanier

       Pages 123-137

3. Solid State Physics

   1. Front Matter

      Pages 139-140

      PDF

   2. Molecular Dynamics Simulations with Long-Range Interactions

      • Johannes Roth, Philipp Beck, Peter Brommer, Andreas Chatzopoulos, Franz Gähler, Stephen Hocker et al.

      Pages 141-154

   3. Polarization Dependent Water Adsorption on the Lithium Niobate Z-Cut Surfaces

      • S. Sanna, A. Riefer, M. Rohrmüller, M. Landmann, E. Rauls, N. J. Vollmers et al.

      Pages 155-166

   4. Ab-Initio Calculations of the Vibrational Properties of Nanostructures

      • Gabriel Bester, Peng Han

      Pages 167-181

4. Chemistry

   1. Front Matter

      Pages 183-184

      PDF

   2. From Molecules to Thin Films: GaP Nucleation on Si Substrates

      • Andreas Stegmüller, Ralf Tonner

      Pages 185-199

   3. Numerical Studies of the Tunneling Splitting of Malonaldehyde and the Eigenstates of Hydrated Hydroxide Anion Using MCTDH

      • Markus Schröder, Daniel Peláez, Hans-Dieter Meyer

      Pages 201-218

   4. Efficient Calculation of Multi-dimensional Potential Energy Surfaces of Molecules and Molecular Clusters

      • Michael Neff, Dominik Oschetzki, Yuriy Yudin, Yevgen Dorozhko, Natalia Currle-Linde, Michael Resch et al.

      Pages 219-230

This book presents the state-of-the-art in simulation on supercomputers. Leading researchers present results achieved on systems of the High Performance Computing Center Stuttgart (HLRS) for the year 2013. The reports cover all fields of computational science and engineering ranging from CFD via computational physics and chemistry to computer science with a special emphasis on industrially relevant applications. Presenting results 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 highest performance for production codes are of particular interest for both the scientist and the engineer. The book comes with a wealth of coloured illustrations and tables of results.

• computational science and engineering
• high performance computing
• modelling
• simulation
• vector supercomputers

• 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

Wolfgang E. Nagel: Chair of Computer Architecture at Technical University Dresden, Germany. Director of the Center for Information Services and High Performance Computing (ZIH) in Dresden; Chairman of the Advisory Board for the High Performance Computing Center Stuttgart (HLRS). Dietmar H. Kröner: Chair of Applied Mathematics at the University of Freiburg. Deputy Chairman of the Advisory Board for the High Performance Computing Center Stuttgart (HLRS). Michael M. Resch: Chair of high performance computing at the University of Stuttgart, Germany. Director of the High Performance Computing Center Stuttgart; Member of the board of the German Gauss Center for Supercomputing, Winner of HPC Challenge 2003 at SC’2003, Invited Plenary Speaker at SC’07, Reno, USA

Policies and ethics