Computational Methods in Physics, Chemistry and Biology: An Introduction / Edition 1

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Overview

Computational Methods in Physics, Chemistry and Biology offers an accessible introduction to key computational techniques used within science, including quantum mechanics, dynamics, evolutionary methods and molecular dynamics. Assuming only a limited background in computational methods, this book provides the reader with a series of comprehensive examples, problems and practical-based tasks from the basics through to more complex ideas and techniques.

Beginning with an introduction to a numerical solution of Schrodinger's Equation the text moves on to discuss perturbation theory, variational calculations, diffusion, dynamics, Monte Carlo simulations and genetic algorithms. Aimed at those new to the field, the book will enable the reader to develop and implement computational methods for the solutions of a range of problems in science.

This is essential reading for undergraduates taking courses in computational physics, or numerical methods. Also useful to students studying engineering, applied mathematics, computational chemistry and mathematical biology.

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Editorial Reviews

From the Publisher
"within its tightly defined scope, the book is excellent, being both readable and informative" (Chemistry in Britain, January 2002) 

"...The book is fresh in its spirit..." (Zentralblatt Math, Vol.987, No. 12, 2002)

"...an excellent book for undergraduate courses..." (Physical Sciences Educational Reviews, November 2002)

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Product Details

  • ISBN-13: 9780471495635
  • Publisher: Wiley
  • Publication date: 12/4/2001
  • Edition number: 1
  • Pages: 222
  • Product dimensions: 9.69 (w) x 7.44 (h) x 0.47 (d)

Table of Contents

Preface
Acknowledgements
About the author
About the book
Introduction
1 Numerical Solutions to Schrodinger's Equation 1
2 Approximate Methods 45
3 Matrix Methods 71
4 Deterministic Simulations 91
5 Stochastic Simulations 115
6 Percolation Theory 131
7 Evolutionary Methods 149
8 Molecular Dynamics 169
App. A FORTRAN implementation of the shooting method 189
App. B [del][superscript 2] in spherical polar coordinates 191
App. C A comment on the computer sourcecodes 193
App. D Note for tutors 195
References 197
Index 199
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