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Understanding Molecular Simulation: From Algorithms to Applications (Computational Science) (Englisch) Gebundene Ausgabe – 19. Oktober 2001


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Produktinformation

  • Gebundene Ausgabe: 664 Seiten
  • Verlag: Academic Press; Auflage: 2nd revised edition. (19. Oktober 2001)
  • Sprache: Englisch
  • ISBN-10: 0122673514
  • ISBN-13: 978-0122673511
  • Größe und/oder Gewicht: 23,8 x 14,3 x 4 cm
  • Durchschnittliche Kundenbewertung: 5.0 von 5 Sternen  Alle Rezensionen anzeigen (1 Kundenrezension)
  • Amazon Bestseller-Rang: Nr. 15.385 in Fremdsprachige Bücher (Siehe Top 100 in Fremdsprachige Bücher)
  • Komplettes Inhaltsverzeichnis ansehen

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Produktbeschreibungen

Pressestimmen

".brilliantly maintains a balance between explaining the physical phenomena and performing computations. Its marvelous writing style invites scientists and students to deepen their knowledge of MD simulations."--ComputingReviews.com, January 11, 2013 "... this book brilliantly lays down the scientific foundations of the simulational approach ..."--Prof. Kurt Binder in Physics World, 1997 "... a treasure. The book is a marvellous mix of just enough formalism with an informal and readable style, sufficient detail to understand methodological advances, appropriate mathematics ..."--Prof. Mark A. Ratner in Physics Today, 1997

Synopsis

"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; and, 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.


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Einleitungssatz
It usually takes decades rather than years before a fundamentally new invention finds widespread application. For computer simulation, the story is rather different. Lesen Sie die erste Seite
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0 von 1 Kunden fanden die folgende Rezension hilfreich Von saras@servidor.unam.mx am 17. Mai 1999
Format: Gebundene Ausgabe
This book covers many interesting topics in molecular simulation, both Monte Carlo and M.D. It focuses on understanding the main ideas rather than giving long codes. It's a good place to start, but it also covers some ideas not found in many other books. When I try to extend my molecular dynamics program I always check what Frenkel and Smit have to say about it.
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Die hilfreichsten Kundenrezensionen auf Amazon.com (beta)

Amazon.com: 15 Rezensionen
38 von 42 Kunden fanden die folgende Rezension hilfreich
A nice disappointment 30. August 2001
Von Jose R. Valverde Carrillo - Veröffentlicht auf Amazon.com
Format: Gebundene Ausgabe
The title of the book is overly ambitious and falls short on its promises. The book is a good introduction to Molecular Mechanics (MM), Molecular Dynamics (MD) and Monte Carlo (MC) methods, with detailed descriptions of the methods used and FORTRAN (pseudo)code, covering from the basics to some middle-level and some advanced algorithms.
But it does NOT cover all the fields of Molecular Modelling, just the three mentioned (MM, MD and MC), there's no coverage of quantum mechanics methods, nor QSAR or other technologies. And, while it described the algorithms, I can't think of it going all the way through up to building applications. For this, Rapaport's makes a better job, and for a general intro to Molecular Modelling, Grant & Richards' Computational Chemistry is more comprehensive (albeit at a more superficial level). Nor does it provide much detail on the methods used in modelling biological macromolecules, an increasing application field for the methods discussed in the book.
All in all, this book fails to satisfy its cover title, it won't introduce to the whole field (just the areas of MM, MD and MC) nor does it go up to application level. But it IS a REAL GOOD introduction to the subjects covered and their basic algorithms,
with sample code, detailed descriptions and plenty of references to specialized articles, texts and resources.
25 von 27 Kunden fanden die folgende Rezension hilfreich
A great book for begginers. 17. Mai 1999
Von saras@servidor.unam.mx - Veröffentlicht auf Amazon.com
Format: Gebundene Ausgabe
This book covers many interesting topics in molecular simulation, both Monte Carlo and M.D. It focuses on understanding the main ideas rather than giving long codes. It's a good place to start, but it also covers some ideas not found in many other books. When I try to extend my molecular dynamics program I always check what Frenkel and Smit have to say about it.
25 von 28 Kunden fanden die folgende Rezension hilfreich
Perfect for New Grad Students 24. November 2002
Von Owen Hehmeyer - Veröffentlicht auf Amazon.com
Format: Gebundene Ausgabe
This book is how I bootstrapped my way into being a molecular simulationist. Anyone who can program in some language can get started writing simple routines for the basic MD and MC simulations.
I do Monte Carlo simulations at Princeton, and found this book to be the most helpful available for getting my research started. It is my most common reference, and is used extensively in writing background information for various research documents.
However, after you have written your first few codes, you will pass the level of this book and need to move on. I use it less now than I did my first year.
Every student in my group (Panagiotopoulos) has this book I think. And like me, they started with it, but moved on.
9 von 12 Kunden fanden die folgende Rezension hilfreich
Excellent text for beginners in simulation 19. November 2004
Von Kanishk Rastogi - Veröffentlicht auf Amazon.com
Format: Gebundene Ausgabe Verifizierter Kauf
Its an excellent book for those who are just beginners in MC & MD simulations. everything is very clearly explained with lot of examples and some related unsolved problems. the text explores this topic indetails with advanced chapters in later sections. Good for anybody int hsi field be it in materials science, physics or related fields.
2 von 2 Kunden fanden die folgende Rezension hilfreich
5-star book, 1 star e-book ... get the print version 9. September 2014
Von P. Glenn - Veröffentlicht auf Amazon.com
Format: Kindle Edition Verifizierter Kauf
The book is a very good reference, but the digital quality is very bad. Letters are missing from words, and it features nonsensical overtype and missing symbols from formulae. It is the lowest quality Amazon e-book I've seen; all of the equations that aren't overtyped or missing variables look like they were copied and pasted images (there is blur/cutoff evidence).
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