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Understanding Molecular Simulation (Computational Science Series, Vol 1)

Understanding Molecular Simulation (Computational Science Series, Vol 1)
Authors: Berend Smit, Daan Frenkel
Publisher: Academic Press
Category: Book

List Price: $82.95
Buy New: $66.25
You Save: $16.70 (20%)



New (14) Used (7) from $65.00

Avg. Customer Rating: 4.5 out of 5 stars 8 reviews
Sales Rank: 65415

Media: Hardcover
Edition: 2nd
Number Of Items: 1
Pages: 600
Shipping Weight (lbs): 2.2
Dimensions (in): 9.1 x 6.3 x 1.6

ISBN: 0122673514
Dewey Decimal Number: 539.60113
EAN: 9780122673511
ASIN: 0122673514

Publication Date: October 15, 2001
Availability: Usually ships in 1-2 business days

Customer Reviews:
Showing reviews 6-8 of 8
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4 out of 5 stars A nice disappointment   August 30, 2001
 26 out of 28 found this review helpful

The title of the book is overly ambitious and falls short on its promises. The book is a good introduction to Molecular Mechanics (MM), Molecular Dynamics (MD) and Monte Carlo (MC) methods, with detailed descriptions of the methods used and FORTRAN (pseudo)code, covering from the basics to some middle-level and some advanced algorithms.
But it does NOT cover all the fields of Molecular Modelling, just the three mentioned (MM, MD and MC), there's no coverage of quantum mechanics methods, nor QSAR or other technologies. And, while it described the algorithms, I can't think of it going all the way through up to building applications. For this, Rapaport's makes a better job, and for a general intro to Molecular Modelling, Grant & Richards' Computational Chemistry is more comprehensive (albeit at a more superficial level). Nor does it provide much detail on the methods used in modelling biological macromolecules, an increasing application field for the methods discussed in the book.
All in all, this book fails to satisfy its cover title, it won't introduce to the whole field (just the areas of MM, MD and MC) nor does it go up to application level. But it IS a REAL GOOD introduction to the subjects covered and their basic algorithms,
with sample code, detailed descriptions and plenty of references to specialized articles, texts and resources.



5 out of 5 stars An excellent introduction   September 21, 2000
 4 out of 5 found this review helpful

This book is an excellent introduction to the field of molecular dynamics simulation. It is easy to follow for a scientist entering the field and at the same time contains overview of most critical topics in MD simulation. The book's major goal is to describe how to simulate liquids, however it also mentions briefly the methods for gas and liquid simulations. List of references for further readings is very useful and complete.


5 out of 5 stars A great book for begginers.   May 17, 1999
 19 out of 19 found this review helpful

This book covers many interesting topics in molecular simulation, both Monte Carlo and M.D. It focuses on understanding the main ideas rather than giving long codes. It's a good place to start, but it also covers some ideas not found in many other books. When I try to extend my molecular dynamics program I always check what Frenkel and Smit have to say about it.

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