[【物理化学】] Molecular Simulation of Fluids

Molecular Simulation of Fluids
By Sadus
Publisher: Elsevier Science
Number Of Pages: 552
Publication Date: 1999-01-01
ISBN-10 / ASIN: 0444823050
ISBN-13 / EAN: 9780444823052
Binding: Hardcover
Hardbound. Molecular simulation is being increasingly used to study a widening range of both molecular systems and fluid phenomena. Today, the goal of many simulators is to study complicated molecules such as proteins, whereas attention was formerly confined almost exclusively to simple atoms and molecules. Similarly, the simulation of phase equilibria is nowadays quite common. The impetus for the increasing use of molecular simulation can be attributed to many factors such as improvements in theory, algorithms, and computer hardware. These novel developments have generated enormous growth in the simulation literature. The aim of this book is to examine some of the important aspects of recent progress in the use of molecular simulation for investigating fluids. It encompasses both Monte Carlo and molecular dynamic techniques providing details of theory, algorithms and implementation. Details of new algorithms are described in pseudo code and the latest
Summary: good intention and useful, but disastrous C++ example code
Rating: 2 I agree mostly with the other reviewers to say that this book is useful to some
extent for its brief review of molecular simulation and more so for the chapter
on object oriented programing. However, I am really annoyed by the bad job done on the actual C++ example
code. While the class structure done in UML seems OK, the actual code is of a
very bad style and very misleading. I object to the fact that the code is still far
too procedural and encapsulation and information hiding have not really been
used at all. I found this really misleading, since I wanted to use the code and adapt
it to my own needs. There are some pretty dodgy style conventions also, such as
the inclusion of header files in header files, inconsistent class structure. Beginners beware and keep a proper C++ for scientists and engineers book
on the side. Summary: A very useful book
Rating: 5 This is a very useful book, particularly for researchers and graduate students. It explains many Monte Carlo and molecular simulation algorithms. Some are familiar but many are not described in detail elsewhere. The review of the literature is very comprehensive and up-to-date. A novel and unique feature is Chapter 10 which shows how to write simulation code using object-oriented analysis. Code is also given in C++. The book is expensive but it is worth every penny just for this chapter alone. Summary: Not the place to learn molecular simulation
Rating: 3 The early chapters are really just a review of the available literature on the topic - a better place to start is the book by Frenkel and Smit. The redeeming feature is the interesting final chapter on object-oriented programming, though this won't interest everybody. For such an expensive book the typesetting and general layout is not as good as it could be. Summary: An excellent book
Rating: 5 The entire book is very clear. But I was impressed with the chapter devoted to the object oriented paradigm and its use in molecular simulation of fluids. The explanation is excelent from the computer science point of view. Also the use of the UML for the object oriented design process contributes for a good comprehension of the subject, specially for engineers. [ 本帖最后由 老杨 于 2008-10-9 13:47 编辑 ]