Introduction to Practice of Molecular Simulation book cover

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.

Audience

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

Hardbound, 330 Pages

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


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

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