Introduction to Practice of Molecular Simulation: Molecular Dynamics, Monte Carlo, Brownian Dynamics, Lattice Boltzmann and Dissipative Particle Dynamics

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.

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

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