Introduction to Practice of Molecular Simulation

1st Edition

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

Authors: Akira Satoh
Hardcover ISBN: 9780123851482
eBook ISBN: 9780123851499
Imprint: Elsevier
Published Date: 17th December 2010
Page Count: 330
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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∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙

Details

No. of pages:
330
Language:
English
Copyright:
© Elsevier 2011
Published:
Imprint:
Elsevier
eBook ISBN:
9780123851499
Hardcover ISBN:
9780123851482
Paperback ISBN:
9780323165198

About the Author

Akira Satoh

Affiliations and Expertise

Akita Prefectural University, Yuri-Honjo, Japan

Reviews

"This well-written handbook provides an overview of the current developments in the practice of MD (both deterministic and stochastic), which makes it a useful reference book for software developers and practitioners of MD simulations."--ComputingReviews.com, January 11, 2013