Computational Methods in Physics, Chemistry and Biology: An Introduction

Computational Methods in Physics, Chemistry ahd Biology offers an accessible introducton 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 Schrö dinger′s Equation the text moves on to discuss pertubation 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.
Features:
∗ An accessible introduction covering a range of essential techniques applicable to key problems
∗ Numerous examples, problems and practical–based exercises.
∗ A supplementary website including solutions
This is essential reading for undergraudates taking courses in computational physics, or numerical methods. Also useful to students studying engineering, applied mathematics, computational chemistry and mathematical biology.

Spis treści:
Preface.
Acknowledgments.
About the Author.
About the Book.
Introduction.
Numerical Solutions to Schrödinger′s Equation.
Approximate Methods.
Matrix Methods.
Deterministic Simulations.
Stochastic Simulations.
Percolation Theory.
Evolutionary Methods.
Molecular Dynamics.
Appendix A: FORTRAN Implementation of the Shooting Method.
Appendix B: ² in Spherical Polar Coordinates.
Appendix C: A Comment on the Computer Sourcecodes.
Appendix D: Note for Tutors.
References.
Index.

Okładka tylna:
Computational Methods in Physics, Chem istry ahd Biology offers an accessible introducton 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 Schrö dinger′s Equation the text moves on to discuss pertubation 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.
Features:
∗ An accessible introduction covering a range of essential techniques applicable to key problems
∗ Numerous examples, problems and practical–based exercises.
∗ A supplementary website including solutions
This is essential reading for undergraudates taking courses in computational physics, or numerical methods. Also useful to students studying engineering, applied mathematics, computational chemistry and mathematical biology.