Introduction to Practice of Molecular Simulation

Introduction to Practice of Molecular Simulation

Molecular Dynamics, Monte Carlo, Brownian Dynamics, Lattice Boltzmann and Dissipative Particle Dynamics

1st Edition - December 17, 2010

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  • Author: Akira Satoh
  • eBook ISBN: 9780123851499
  • Paperback ISBN: 9780323165198

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Description

This book presents the most important and main concepts of the molecular and microsimulation techniques. It enables readers to improve their skills in developing simulation programs by providing physical problems and sample simulation programs for them to use.

Key Features

  • Provides tools to develop skills in developing simulations programs
  • Includes sample simulation programs for the reader to use
  • Appendix explains Fortran and C languages in simple terms to allow the non-expert to use them

Readership

Graduates and researchers in physics, chemistry, chemical engineering, mechanical engineering

Table of Contents

  • 1. Outline of Molecular Simulation and Micro-simulation Methods
    2. Outline of Methodology of Simulations
    3. Practice of Molecular Dynamics Simulations
    4. Practice of Monte Carlo Simulations
    5. Practice of Brownian Dynamics Simulations
    6. Practice of Dissipative Particle Dynamics Simulations
    7. Practice of Lattice Boltzmann Simulations
    8. Theoretical Background of Lattice Boltzmann Method

    Appendices
    A1. Chapman-Enskog Expansion
    A2. Generation of Random Numbers According to Gaussian Distribution
    A3. Outline of Basic Grammars of FORTRAN and C Languages
    A4. Unit Systems of Magnetic Materials
    How to Acquire Simulation Programs

Product details

  • No. of pages: 330
  • Language: English
  • Copyright: © Elsevier 2010
  • Published: December 17, 2010
  • Imprint: Elsevier
  • eBook ISBN: 9780123851499
  • Paperback ISBN: 9780323165198

About the Author

Akira Satoh

Affiliations and Expertise

Akita Prefectural University, Yuri-Honjo, Japan

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