The Art of Molecular Dynamics Simulation
by D. C. Rapaport
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Book Summary Information
Author: D. C. RapaportEdition: Hardcover
Published: 2004-04-19
ISBN: 0521825687
Number of pages: 564
Publisher: Cambridge University Press
Book Reviews of The Art of Molecular Dynamics Simulation
Book Review: Useful, for the right reader
Summary: 4 Stars
I'm not sure I'm that reader.
The ideal reader is wholly at home with good bits of analysis - you'll be comfortable with Lagrange multipliers, LU decomposition, quaternion representation of oriented values, and a fair bit else. You won't need the basics of classical physics, including Hamiltonians and a few projections of the Navier-Stokes equations down into tractable form. Non- and in-equilibrium dynamics, smooth and discrete representations, plus their mixed forms - you're prepared to build up from these elements.
You, the ideal reader, are not much of a programmer, though. The book built very much around extensive C sample code. I use the term "C" in some strict syntactic sense, though. The general style reminds me of FORTRAN, but the global data declarations are in the style of pre-1980 BASIC. This book is aimed at the odd mix of capable numerical analyst (which I'm not) and chemist (which I'm not), but naive software developer (which I'm not).
The strength of this book is in its code samples. The author explictly invites modification and extension. The only sane way to modify this code is to understand it thoroughly, and to understand the underlying chemistry, physics, and numerical models.
Maybe this book works well for some people, people that I admire immensely. I just wish it worked better for me.
//wiredweird
Summary of The Art of Molecular Dynamics Simulation
In this Second Edition an extensive series of detailed case studies introduces the reader to solutions to a variety of problems connected with the way molecular interactions and motions determine the properties of matter. The methods are widely used in studying phenomena involving everything from the simplest of liquids to highly complex molecules such as proteins. In addition to a significant amount of new material, this edition features completely rewritten software. First Edition Hb (1996): 0-521-44561-2 First Edition Pb (1996): 0-521-59942-3The book describes computer simulation techniques used in modeling matter at the atomistic level. An extensive series of detailed case studies are used to introduce the reader to methods suitable for dealing with a variety of problems, all connected with the way the molecular interactions and motions determine the properties of matter as observed in the real world. The methods are widely used in studying phenomena involving everything from the simplest of liquids to highly complex molecules such as proteins.
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