Molecular dynamics simulation: elementary methods. J. M. Haile

Molecular dynamics simulation: elementary methods



Download Molecular dynamics simulation: elementary methods



Molecular dynamics simulation: elementary methods J. M. Haile ebook djvu
Publisher: Wiley-Interscience
Language: English
Page: 505
ISBN: 0471819662, 9780471819660

...a very useful introduction...--Journal of the American Chemical Society

...entertaining, stimulating and useful...thoroughly recommended to anyone with an interest in computer simulation.--Contemporary Physics

Using molecular dynamics simulations to compute the motions of different molecules, scientists can discover why proteins fold together in a way that supports life, or how individual molecules combine to form new substances. Written especially for the novice, this book shows how molecular dynamics simulations work and how to perform them.

From the Publisher

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 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.



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