| View Larger Image | Molecular Dynamics Simulation: Elementary Methods (Wiley Professional) | Paperbackby J. M. Haile (Author)
| List Price: | $130.00 | | Price: | $108.44 | | You Save: | $21.56 (17%) | | | Available: | Usually ships in 24 hours |
| | Binding: | Paperback | | Publisher: | Wiley-Interscience | | Edition: | 1st Edition | | Page Count: | 512 Pages | | Publication Date: | March 14, 1997 | | Sales Rank: | 950,736th |
|
EDITORIAL REVIEWS |
Product Description
"Provides a lot of reading pleasure and many new insights." -Journal of Molecular Structure "This is the most entertaining, stimulating and useful book which can be thoroughly recommended to anyone with an interest in computer simulation." -Contemporary Physics "A very useful introduction . . . more interesting to read than the often dry equation-based texts." -Journal of the American Chemical Society Written especially for the novice, Molecular Dynamics Simulation demonstrates how molecular dynamics simulations work and how to perform them, focusing on how to devise a model for specific molecules and then how to simulate their movements using a computer. This book provides a collection of methods that until now have been scattered through the literature of the last 25 years. It reviews elements of sampling theory and discusses how modern notions of chaos and nonlinear dynamics explain the workings of molecular dynamics. Stresses easy-to-use molecules * Provides sample calculations and figures * Includes four complete FORTRAN codes |
CUSTOMER REVIEWS (Average Customer Rating: 5.0 based on 3 reviews)
|
La mejor introduccion a la materia by Gabriel Jesus Sanjurjo Prieto (Spain)  5 Stars
November 05, 2009
Este libro es el mejor que he econtrado para introducirte en el mundo de la simulacion de la dinamica molecular. Si bien hay muchos temas que no trata, como la simulacion en otros colectivos que no sean el colectivo microcanonico, la simulacion ab initio, etc, es sin duda el libro mas recomendado para los que comienzan sus andaduras en esta materia. Lo recomiendo sin duda a todo aquel que tenga curiosidad por el tema o se dedique profesionalmente a la simulacion de dinamica molecular, como texto de iniciacion. Posteriormente puede seguirse el estudio por textos como los de Frenkel y Smit o el de Allen y Tildesley, dos grandes textos para esta materia.
| |
Great introduction by wiredweird (Earth, or somewhere nearby) 5 Stars
April 26, 2005
If you're just getting started in molecular dynamics, especially if it's not really where you wanted to be in the first place, this may be the book for you.
The pace is brisk. Readers unsure of their calculus or Newtonian physics may struggle. The brief first chapter addresses the basics: what are the questions, which ones can computation address, and with what result. Chapters two to five develop successively more refined models up through Lennard-Jones soft-sphere models. That puts the reader about half-way through the book, to the point where it becomes less about physics and more about real chemistry. The next two chapters deal with the basics of thermodynamics and a bit on evaluating stability of the computed results.
The last third of the book is mostly appendices. The first three are decidedly of interest to the chemistry beginner, but the next dozen or so could have been dropped with no harm to the book's main content. "A Random-Number Generator" and "Conventions for Naming Variables in Fortran" are redundant and irrelevant (respectively) in most contemporary computing environments. If someone needs computing advice at that level, they're probably not ready for the load this book presents.
What's good is very good, though. The introduction material is sensible and adequately rigorous, with many and varied references at the end of each chapter. My interest in computational chemistry is mostly in the computation, not in the chemistry. Given that computational chemistry is a huge field, Haile has done a good job of keeping a sharp focus on one range of techniques and on a specific level of reader.
//wiredweird
| |
A great book for begginers. by saras@servidor.unam.mx (Mexico City.) 5 Stars
May 17, 1999
As it's name implies this book covers only elementary methods, and this makes it extremely useful for beginners. Particularly higher undergraduate and graduate students with no previous knowledge of computer simulation methods. It is very kind with the reader, being very explicit on many topics other books take for granted. The sections on hard sphere simulation are particularly long compared with other books on the subject. The code included is very well organized and helpful, every book should have it documented this way!. If you program in fortran it's very useful, but if you program in C I recommend Rapaport's book instead, altough it's a little more difficult. I particularly liked the introduction about simulation and some phylosophical aspects of it.
| |
SIMILAR PRODUCTS |
| Molecular Modelling for Beginners
by Alan Hinchliffe (Author)
A concise, basic introduction to modelling and computational chemistry which focuses on the essentials, including MM, MC, and MD, along with a chapter devoted to QSAR and Discovery Chemistry. Includes supporting website featuring background information, full colour illustrations, questions and answers tied into the text,Visual Basic packages and many realistic examples with solutions Takes a hands-on approach, using state of the art software packages G03/W and/or Hyperchem,...
| 
| Understanding Molecular Simulation, Second Edition: From Algorithms to Applications (Computational Science Series, Vol 1)
by Daan Frenkel (Author), Berend Smit (Author)
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...
| 
| The Art of Molecular Dynamics Simulation
by D. C. Rapaport (Author)
In this Second Edition an extensive series of detailed case studies introduces the reader to solutions to a variety of problems connected with the way molecular interactions and motions determine the properties of matter. The methods are widely used in studying phenomena involving everything from the simplest of liquids to highly complex molecules such as proteins. In addition to a significant amount of new material, this edition features completely rewritten software. First Edition Hb (1996):...
| 
| Computer Simulation of Liquids
by M. P. Allen (Author), D. J. Tildesley (Author)
A first in its field, this book is both an introduction to computer simulation of liquids for upper level undergraduates and a how-to guide for specialists. The authors discuss the latest simulation techniques of molecular dynamics and the Monte Carlo methods as well as how to avoid common programming pitfalls. Theoretical concepts and practical programming advice are amply reinforced with examples of computer simulation in action and samples of Fortran code. The authors have also included a...
| 
| Molecular Modeling and Simulation
by Tamar Schlick (Author)
This book evolved from an interdisciplinary graduate course entitled Molecular Modeling developed at New York University. Its primary goal is to stimulate excitement for molecular modeling research while introducing readers to the wide range of biomolecular problems being solved by computational techniques and to those computational tools. The book is intended for beginning graduate students in medical schools and scientific fields such as biology, chemistry, physics, mathematics, and computer...
|
|
|
