Molecular Dynamics Simulation 1st Edition – Ebook Instant Download/Delivery ISBN(s): 9780128164198,0128164190,9780128166161, 0128166169
Product details:
- ISBN-10: 0128166169
- ISBN-13: 9780128166161
- Author: Kun Zhou; Bo Liu
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.
Table 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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