Understanding Molecular Simulation
From Algorithms to Applications 2nd Revised edition
Normal Price: $119.00
Your Price: $107.10 AUD, inc. GST
Shipping: $7.95 per order
You Save: $11.90! (10% off normal price)
Plus...earn $5.36 in Boomerang Bucks
Availability: Available to Backorder, No Due Date for Supply
Understanding Molecular Simulation by Daan Frenkel
Book DescriptionUnderstanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: * Transition path sampling and diffusive barrier crossing to simulaterare events * Dissipative particle dynamic as a course-grained simulation technique * Novel schemes to compute the long-ranged forces * Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations * Multiple-time step algorithms as an alternative for constraints * Defects in solids * The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules * Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.
Buy Understanding Molecular Simulation book by Daan Frenkel from Australia's Online Bookstore, Boomerang Books.
Book DetailsISBN: 9780122673511
(229mm x 152mm x 40mm)
Imprint: Academic Press Inc
Publisher: Elsevier Science Publishing Co Inc
Publish Date: 19-Oct-2001
Country of Publication: United States
» Have you read this book? We'd like to know what you think about it - write a review about Understanding Molecular Simulation book by Daan Frenkel and you'll earn 50c in Boomerang Bucks loyalty dollars (you must be a member - it's free to sign up!)
Author Biography - Daan Frenkel
Daan Frenkel is based at the FOM Institute for Atomic and Molecular Physics and at the Department of Chemistry, University of Amsterdam. His research has three central themes: prediction of phase behavior of complex liquids, modeling the (hydro) dynamics of colloids and microporous structures, and predicting the rate of activated processes. He was awarded the prestigious Spinoza Prize from the Dutch Research Council in 2000. Berend Smit is Professor at the Department of Chemical Engineering of the Faculty of Science, University of Amsterdam. His research focuses on novel Monte Carlo simulations. Smit applies this technique to problems that are of technological importance, particularly those of interest in chemical engineering.
Bestselling Books: Our Current Bestsellers | Australia's Hottest 1000 Books | Bestselling Fiction | Bestselling Crime Mysteries and Thrillers | Bestselling Non Fiction Books | Bestselling Sport Books | Bestselling Gardening and Handicrafts Books | Bestselling Biographies | Bestselling Food and Drink | Bestselling History | Bestselling Travel Books | Bestselling School Textbooks & Study Guides | Bestselling Children's General Non-Fiction | Bestselling Young Adult Fiction | Bestselling Children's Fiction | Bestselling Picture Books | Top 100 US Bestsellers
Phone: 1300 36 33 32 (9am-5pm Mon-Fri AEST) - International: +61 2 9960 7998 - Online Form
Address: Boomerang Books, 878 Military Road, Mosman Junction, NSW, 2088
© 2003-2017. All Rights Reserved. Eclipse Commerce Pty Ltd - ACN: 122 110 687 - ABN: 49 122 110 687
For every $20 you spend on books, you will receive $1 in Boomerang Bucks loyalty dollars. You can use your Boomerang Bucks as a credit towards a future purchase from Boomerang Books. Note that you must be a Member (free to sign up) and that conditions do apply.