Introduction to Practice of Molecular Simulation

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

By

  • Akira Satoh, Akita Prefectural University, Yuri-Honjo, Japan

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.
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Audience

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

 

Book information

  • Published: December 2010
  • Imprint: ELSEVIER
  • ISBN: 978-0-12-385148-2

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




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∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙ ∙