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A Practical Introduction to the Simulation of Molecular Systems by Martin J. Field
ISBN: 052158129X
ISBN13: 978-0521581295
Author: Martin J. Field
Book title: A Practical Introduction to the Simulation of Molecular Systems
Other Formats: lrf rtf mbr lit
Pages: 336 pages
Publisher: Cambridge University Press; First Edition edition (August 28, 1999)
Language: English
Size PDF version: 1621 kb
Size ePub version: 1829 kb
Size fb2 version: 1476 kb
Category: Chemistry

In this vital resource, Martin Field provides a practical introduction to the range of different techniques available for the simulation of molecular systems. The text includes a library of program modules written in Fortran 90 with which the simulations discussed were performed. Each chapter describes a general class of methods or algorithms, and then illustrates their use with example programs, written using the module library. Topics covered include energy functions, geometry optimization and reaction path location techniques, normal mode analysis, molecular dynamics and Monte Carlo simulations and free energy calculations. This book will be of interest to advanced undergraduates, graduate students and researchers who use molecular simulation techniques, particularly in theoretical and computational chemistry, biophysics, and computational molecular physics.

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