 |
|
| UNDERSTANDING MOLECULAR SIMULATION
| |
| | |
|
|
From Algorithms to Applications
To order this title, and for more information, click here
Second Edition
By
Daan Frenkel, FOM Institute for Atomic and Molecular Physics, The Netherlands
Berend Smit, University of Amsterdam, Amsterdam, The Netherlands
Description
Understanding 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.
Audience
Graduate students in physics and materials science departments studying molecular simulation techniques; scientists in the fields of polymers, materials science, and applied physics.
| Bibliographic details |
Hardbound, 664 pages, publication date: OCT-2001
ISBN-13: 978-0-12-267351-1
ISBN-10: 0-12-267351-4
Imprint: ACADEMIC PRESS
|
| Price and Ordering |
Price:
USD 87.95
EUR 64.95
GBP 55
|  |
Books and book related electronic products are priced in US dollars (USD), euro (EUR), and Great Britain Pounds (GBP). USD prices apply to the Americas and Asia Pacific. EUR prices apply in Europe and the Middle East. GBP prices apply to the UK and all other countries.
|
See also information about conditions of sale & ordering procedures, and links to our regional sales offices.
|
030/300
Last update: 30 Nov 2009
|
|
| |
| | |
|
|
| |
Home | Elsevier Sites | Privacy Policy | Terms and Conditions | Feedback | Site Map | A Reed Elsevier Company