# Understanding Molecular Simulation: from algorithms to applications

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BY **Berend Smit, Daan Frenkel**

0122673514 Shared By Guest

**Understanding Molecular Simulation: from algorithms to applications** Berend Smit, Daan Frenkel is available to download <table><tr><td colspan="2"><strong style="font-size:1.This material is available do download at niSearch.com on **Berend Smit, Daan Frenkel**'s eBooks, 2em;">Understanding Molecular Simulation: from algorithms to applications</strong><br/>Berend Smit, Daan Frenkel</td></tr> <tr> <td><b>Type:</b></td> <td>eBook</td> </tr> <tr> <td><b>Released:</b></td> <td>2001</td> </tr> <tr> <td><b>Publisher:</b></td> <td>Academic Press</td> </tr> <tr> <td><b>Page Count:</b></td> <td>658</td> </tr> <tr> <td><b>Format:</b></td> <td>djvu</td> </tr> <tr> <td><b>Language:</b></td> <td>English</td> </tr> <tr> <td><b>ISBN-10:</b></td> <td>0122673514</td> </tr> <tr> <td><b>ISBN-13:</b></td> <td>9780122673511</td> </tr> </table>
Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science.*Understanding Molecular Simulation: from ...* Textbook 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:Ã‚Â· Transition path sampling and diffusive barrier crossing to simulaterare eventsÃ‚Â· Dissipative particle dynamic as a course-grained simulation techniqueÃ‚Â· Novel schemes to compute the long-ranged forcesÃ‚Â· Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulationsÃ‚Â· Multiple-time step algorithms as an alternative for constraintsÃ‚Â· Defects in solidsÃ‚Â· The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex moleculesÃ‚Â· Parallel tempering for glassy HamiltoniansExamples 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.

## Related Books on Understanding Molecular Simulation: from algorithms to applications

- Understanding Molecular Simulation, Second Edition: From Algorithms to Applications (Computational Science)
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