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Applying Molecular and Materials Modeling

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Title: Applying Molecular and Materials Modeling
by Phillip Ray Westmoreland, Peter A. Kollman, Anne M. Chaka, Peter T. Cummings, Keiji Morokuma, Matthew Neurock, Ellen B. Stechel, Priya Vashishta
ISBN: 1-4020-0906-2
Publisher: Kluwer Academic Publishers
Pub. Date: November, 2002
Format: Hardcover
Volumes: 1
List Price(USD): $179.00
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Average Customer Rating: 4 (1 review)

Customer Reviews

Rating: 4
Summary: Comprehensive review of the atomistic simulations field
Comment: This book attempts to do two things.

1. Introduce the reader to the science, techniques and applications of atomistic simulations of crystalline and molecular systems.

2. Compare and contrast the quantity and quality of atomistic simulations in different geographies (US, Japan and Europe primarily).

This work succeeds on both counts. There is enough scientific background on the simulation techniques for people in related fields (chemistry, physics, materials science) to understand.

Overall, the text is easy to read, there are many references, all data that can be put into tables/charts has been, and the math is kept to a minimum. There is good coverage of techniques, algorithms, and software codes used in simulations. This book also provides a needed history of atomistic simulations; citing related Nobel Prizes, scientific breakthroughs, major software developments, and important test cases.

This book should not be used as an introduction to doing atomistic modeling though. It is best used as a reference text by people who either do atomistic simulations for a living, or have to rely on its results.

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