Computer Simulation of Liquids

by M.P. Allen, D.J. Tildesley

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 wide selection of programs and routines on microfiche to aid chemists, physicists, chemical
engineers, and computer scientists, as well as graduate and advanced students in chemistry.

Genres: Physics, Science, Textbooks, Computer Science, Biology

408 pages, Paperback

First published February 11, 1988

Reviews

[Martina · Rating 5 out of 5]

Computer simulation of liquids is a classic when it comes to that particular subject. I can see why Allen and Tildesley's book is so popular - it lays down the foundations well. Even a person who hasn't dealt much with simulations will find it clear and understandable. That's because it starts ab initio, from the physical ideas and concepts behind the algorithms, and that, I believe, is something essential to a student of physics.

Really, I was stunned how nicely the book flows - from the set-up (first two chapters of the first part, "Introduction"), over the idea of potential and various interactions, periodic boundary conditions... Then the great part on the statistical mechanics (although I learned that part previously from Hansen's book, it's always good to revise :D), the nicely detailed pages on integration in MD... Granted, I haven't went through MC (because it's not my primary interest) or the more advanced stuff in the later chapters (like "Brownian dynamics" and "Quantum simulations"), but what I've read and learned from it helped me to reach my verdict regarding my rating. What can I say, it's a great book. I wasn't blown away by it as much as I was with some other books (*cough*Atkins*cough*), but upon further questioning my stance, I decided to give it 5 stars. It's a classic, it's excellent and you can get a lot out of it.

[Pranjal Singh · Rating 5 out of 5]

This was a very helpful reference book for developing a molecular dynamics simulation package in my graduate work. The benefit of reading such a book is the years of experience that isn't communicated in venues such as online tutorials or even the short (semester long) University courses.

[Rob Phippen · Rating 5 out of 5]

Excellent book. I had the pleasure of doing my Ph.D in the same department as the co-author, Dominic Tildesley, and read it when it was first published, which I’m sure was before the date shown for this book.

[Tia · Rating 5 out of 5]

What a powerful little algorithmic cookbook!

[Rangsiman Ketkaew · Rating 4 out of 5]

A well-written book for graduates or researchers who are interested in molecular dynamics simulation. It comes with a bunch of code examples that you can follow and try coding yourself.