Molecular Dynamics Simulation : Elementary Methods

J M Haile
Wiley
9780471184393
0-471-18439-X

Presented here is a methodologically-oriented treatment of molecular dynamics fundamentals as they relate to hard spheres and Lennard-Jones atoms. The focus is on "why" molecular dynamics works and how.

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it is used to estimate properties. The structure revolves around Aristotle's theory of causation in which a complete explanation for a thing necessarily encompasses four causes: material, formal, efficient and final cause.