A Practical Introduction to the Simulation of Molecular Systems
A Practical Introduction to the Simulation of Molecular Systems
By Martin J. Field
Publisher: Cambridge University Press
Number Of Pages: 344
Publication Date: 2007-08-06
ISBN-10 / ASIN: 0521852528
ISBN-13 / EAN: 9780521852524
Binding: Hardcover
Molecular simulation is a powerful tool in materials science, physics, chemistry and biomolecular fields. This updated edition provides a pragmatic introduction to a wide range of techniques for the simulation of molecular systems at the atomic level. The first part concentrates on methods for calculating the potential energy of a molecular system, with new chapters on quantum chemical, molecular mechanical and hybrid potential techniques. The second part describes methods examining conformational, dynamical and thermodynamical properties of systems, covering techniques including geometry-optimization, normal-mode analysis, molecular dynamics, and Monte Carlo simulation. Using Python, the second edition includes numerous examples and program modules for each simulation technique, allowing the reader to perform the calculations and appreciate the inherent difficulties involved in each. This is a valuable resource for researchers and graduate students wanting to know how to use atomic-scale molecular simulations. Supplementary material, including the program library and technical information, available through www.cambridge.org/9780521852524.
Summary: pretty coo.
Rating: 4
This book is aa-ight. It is more about how to use their library for molecular simulation than it is about writing your own from scratch. But it has a few good insights. Overall, it's a good one for the collection of molecular simulation books if that's your thing. :)
http://rapidshare.com/files/137713564/0521852528.rar|
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