0
Your cart

Your cart is empty

Books

Not currently available

Understanding Molecular Simulation - From Algorithms to Applications (Electronic book text, 2nd ed.)
Understanding Molecular Simulation - From Algorithms to Applications (Electronic book text, 2nd ed.): Dan Frenkel, Daan...
Understanding Molecular Simulation - From Algorithms to Applications (Electronic book text, 2nd ed.): Dan Frenkel, Daan...

Share your images

Understanding Molecular Simulation - From Algorithms to Applications (Electronic book text, 2nd ed.)

Dan Frenkel, Daan Frenkel, Berend Smit

 (sign in to rate)

Bookmark and Share

We have no sources for this product at present. If you add this to your wishlist we will let you know should it become available to order.

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:
A Transition path sampling and diffusive barrier crossing to simulaterare events
A Dissipative particle dynamic as a course-grained simulation technique
A Novel schemes to compute the long-ranged forces
A Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations
A Multiple-time step algorithms as an alternative for constraints
A Defects in solids
A The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules
A 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."

General

Imprint: Academic Press Inc
Country of origin: United States
Release date: October 2001
Authors: Dan Frenkel • Daan Frenkel • Berend Smit
Format: Electronic book text - Windows
Pages: 664
Edition: 2nd ed.
ISBN-13: 978-0-08-051998-2
Barcode: 9780080519982
Categories: Promotions
Books
LSN: 0-08-051998-9

Is the information for this product incomplete, wrong or inappropriate? Let us know about it.

Does this product have an incorrect or missing image? Send us a new image.

Is this product missing categories? Add more categories.

Review This Product

No reviews yet - be the first to create one!

Loyalty partners