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Elsevier

Introduction to Practice of Molecular Simulation

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

  • 1st Edition - December 17, 2010
  • Latest edition
  • Author: Akira Satoh
  • Language: English

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… Read more

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 Methods2. Outline of Methodology of Simulations3. Practice of Molecular Dynamics Simulations4. Practice of Monte Carlo Simulations5. Practice of Brownian Dynamics Simulations6. Practice of Dissipative Particle Dynamics Simulations7. Practice of Lattice Boltzmann Simulations8. Theoretical Background of Lattice Boltzmann MethodAppendicesA1. Chapman-Enskog ExpansionA2. Generation of Random Numbers According to Gaussian DistributionA3. Outline of Basic Grammars of FORTRAN and C LanguagesA4. Unit Systems of Magnetic MaterialsHow to Acquire Simulation Programs

Review quotes

"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

Product details

  • Edition: 1
  • Latest edition
  • Published: December 17, 2010
  • Language: English

About the author

AS

Akira Satoh

Affiliations and expertise
Akita Prefectural University, Yuri-Honjo, Japan

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