2. Simulations

  1. Prof. Dr. Krzysztof Matyjaszewski2,
  2. Prof. Dr. Yves Gnanou3 and
  3. Prof. Dr. Ludwik Leibler4,5
  1. Denis Andrienko and
  2. Kurt Kremer

Published Online: 23 SEP 2011

DOI: 10.1002/9783527631421.ch34

Macromolecular Engineering: Precise Synthesis, Materials Properties, Applications

Macromolecular Engineering: Precise Synthesis, Materials Properties, Applications

How to Cite

Andrienko, D. and Kremer, K. (2007) Simulations, in Macromolecular Engineering: Precise Synthesis, Materials Properties, Applications (eds K. Matyjaszewski, Y. Gnanou and L. Leibler), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany. doi: 10.1002/9783527631421.ch34

Editor Information

  1. 2

    Carnegie Mellon University, Department of Chemistry, 4400 Fifth Avenue, Pittsburgh, PA 15213, USA

  2. 3

    Université Bordeaux 1, Laboratoire de Chimie des Polymères Organiques, ENSCPB, 16 avenue Pey-Berland, 33607 Pessac, France

  3. 4

    Matière Molle et Chimie, UMR 167 CNRS, ESPCI, 10 rue Vauquelin, 75005 Paris, France

  4. 5

    UMR 167 CNRS-ESPCI École Supérieure de Physique et Chimie Industrielles, 10 rue Vauquelin, 75231 Paris Cedex 05, France

Author Information

  1. Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany

Publication History

  1. Published Online: 23 SEP 2011
  2. Published Print: 23 FEB 2007

ISBN Information

Print ISBN: 9783527314461

Online ISBN: 9783527631421

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Keywords:

  • simulations;
  • basic technique Monte Carlo (MC);
  • basic technique Molecular Dynamics (MD);
  • polymer-specific properties;
  • dynamics;
  • molecular interactions;
  • coarse-graining;
  • generic models

Summary

This chapter contains sections titled:

  • Introduction

  • Basic Techniques: Monte Carlo and Molecular Dynamics

  • Polymer-specific Properties

  • Scaling Relations for Dynamics

  • Molecular Interactions

  • Coarse-graining and Simple Generic Models

  • Other Illustrative Examples

  • Outlook

  • Acknowledgments

  • References