Molecular Dynamics Simulation – Ebook PDF Instant Delivery – ISBN(s): 9780128164198,0128164190
Product details:
- ISBN-10 : 0128164190
- ISBN-13 : 978-0128164198
- Author: Kun Zhou , Bo Liu
Molecular Dynamic Simulation: Fundamentals and Applications explains the fundamentals of MD simulation and explores recent developments in advanced modeling approaches based on the MD method. The improvements in efficiency and accuracy delivered by this new research are explained to help readers apply them to a wide range of tasks.
Details of the implementation of MD simulation are illustrated by presenting the applications of MD simulation in various aspects of materials study including mechanical, thermal, mass transportation, and absorption/desorption problems. Innovative methods of using MD to explore the mechanics of nano/micromaterials, and for the characterization of crystalline, amorphous and liquid materials are also presented.
Table of contents:
Chapter 1. Fundamentals of classical molecular dynamics simulation
Chapter 2. Potential energy functions
Chapter 3. Control techniques of molecular dynamics simulation
Chapter 4. Advanced ab initio molecular dynamics and coarse-grained molecular dynamics
Chapter 5. Application of molecular dynamics simulation in mechanical problems
Chapter 6. Application of molecular dynamics simulation in thermal problems
Chapter 7. Application of molecular dynamics simulation in mass transport problems
Chapter 8. Application of molecular dynamics simulation in other problems
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