Description: Further DetailsTitle: Understanding Molecular SimulationCondition: NewSubtitle: From Algorithms to ApplicationsEAN: 9780122673511ISBN: 9780122673511Publisher: Academic Press IncFormat: HardbackRelease Date: 10/19/2001Description: 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.Language: EnglishCountry/Region of Manufacture: USAuthor: Daan Frenkel, Berend SmitGenre: Technology & EngineeringTopic: Science Nature & Math, Computing & InternetItem Weight: 1000gRelease Year: 2001 Missing Information?Please contact us if any details are missing and where possible we will add the information to our listing.
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Book Title: Understanding Molecular Simulation
Title: Understanding Molecular Simulation
Subtitle: From Algorithms to Applications
EAN: 9780122673511
ISBN: 9780122673511
Release Date: 10/19/2001
Release Year: 2001
Country/Region of Manufacture: US
Genre: Technology & Engineering
Topic: Computing & Internet
Number of Pages: 664 Pages
Language: English
Publication Name: Understanding Molecular Simulation : from Algorithms to Applications
Publisher: Elsevier Science & Technology
Publication Year: 2001
Subject: Physics / Mathematical & Computational, Physics / Atomic & Molecular
Features: Revised
Item Weight: 43.4 Oz
Type: Textbook
Item Length: 9 in
Subject Area: Science
Author: Berend Smit, Daan Frenkel
Item Width: 6 in
Format: Hardcover
