Molecular Dynamics Simulation
eBook - ePub

Molecular Dynamics Simulation

Fundamentals and Applications

  1. 374 pages
  2. English
  3. ePUB (mobile friendly)
  4. Available on iOS & Android
eBook - ePub

Molecular Dynamics Simulation

Fundamentals and Applications

About this book

Molecular Dynamic Simulation: Fundamentals and Applications explains the basic principles of MD simulation and explores its recent developments and roles in advanced modeling approaches.The implementation of MD simulation and its application to various aspects of materials science and engineering including mechanical, thermal, mass transportation, and physical/chemical reaction problems are illustrated. Innovative modeling techniques that apply MD to explore the mechanics of typical nanomaterials and nanostructures and to characterize crystalline, amorphous, and liquid systems are also presented.The rich research experience of the authors in MD simulation will ensure that the readers are provided with both an in-depth understanding of MD simulation and clear technical guidance.- Provides a comprehensive overview of the underlying theories of molecular dynamics (MD) simulation- Presents application-based examples pertaining to a broad range of mechanical, thermal, and mass transport problems- Explores innovative modeling techniques for simulating typical nanomaterials and nanostructures and for characterizing crystalline, amorphous, and liquid systems

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Yes, you can access Molecular Dynamics Simulation by Kun Zhou,Bo Liu in PDF and/or ePUB format, as well as other popular books in Technology & Engineering & Mechanical Engineering. We have over one million books available in our catalogue for you to explore.

Table of contents

  1. Title of Book
  2. Cover image
  3. Title page
  4. Table of Contents
  5. Copyright
  6. List of symbols
  7. Preface
  8. Chapter 1 Fundamentals of classical molecular dynamics simulation
  9. Chapter 2 Potential energy functions
  10. Chapter 3 Control techniques of molecular dynamics simulation
  11. Chapter 4 Advanced ab initio molecular dynamics and coarse-grained molecular dynamics
  12. Chapter 5 Application of molecular dynamics simulation in mechanical problems
  13. Chapter 6 Application of molecular dynamics simulation in thermal problems
  14. Chapter 7 Application of molecular dynamics simulation in mass transport problems
  15. Chapter 8 Application of molecular dynamics simulation in other problems
  16. Index