Chapter 9. Computer Simulation Methods

  1. Prof. Dr. Debashish Chowdhury1 and
  2. Prof. Dr. Dietrich Stauffer2

Published Online: 28 JAN 2005

DOI: 10.1002/3527603158.ch9

Principles of Equilibrium Statistical Mechanics

Principles of Equilibrium Statistical Mechanics

How to Cite

Chowdhury, D. and Stauffer, D. (2000) Computer Simulation Methods, in Principles of Equilibrium Statistical Mechanics, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, FRG. doi: 10.1002/3527603158.ch9

Author Information

  1. 1

    Indian Institute of Technology, Kanpur, India

  2. 2

    University of Cologne, Germany

Publication History

  1. Published Online: 28 JAN 2005
  2. Published Print: 27 JUL 2000

ISBN Information

Print ISBN: 9783527403004

Online ISBN: 9783527603152

SEARCH

Keywords:

  • statistical mechanics;
  • interacting systems;
  • computer simulation methods;
  • Monte Carlo simulation;
  • molecular dynamics;
  • non-self-averaging quantities

Summary

This chapter contains sections titled:

  • Introduction

  • Monte Carlo Simulation

    • Random Sampling Illustrated: Random Walk

    • Importance Sampling Illustrated: Ising Model

    • Fluctuations

    • Equilibration Time and Correlation Time

    • MC Simulation in Micro-canonical Ensemble

    • MC Simulation of Fluids

  • Molecular Dynamics

    • Constant-Energy Molecular Dynamics

    • Constant Temperature/Constant Pressure MD

  • Non-Self-Averaging Quantities

  • Chapter Summary

  • Historical Notes

    • MD approach

    • MC approach

  • Problems

  • Supplementary Notes

    • Random Numbers and Random-Number Generators

    • Multi-Spin Coding

    • MC Simulation: Tricks of the Trade

    • MD Simulation: Tricks of the Trade

    • Langevin Dynamics Simulation

    • Vector- and Parallel Processors; Special Computers

    • Q2R update rules