Understanding Molecular Simulation: From Algorithms to Applications (Computational Science Series, Vol 1) 2nd Edition

My advisor recommends this book to all new students in our lab and many of our group members have a copy of this book at their desk.I’ve looked at some other books, but this one provides the clearest explanations. There’s definitely a reason why this book is popular.

When I have any question about simulations, this book is my first choice and it usually doesn't disappoint me. Best part of this book is crystal theory and algorithm. I know how to run a simulation, how to choose a parameter WITH CONFIDENCE after reading it. However, codes in it are not always helpful, I usually need to implement in my own way. In brief, this book is very good on basic principle and algorithm of molecular simulations, but not how to write a piece of code.

This book has many very helpful algorithms and recommendations, but it is not a easy read if you want to understand the formulas. It is a great tool for beginning molecular simulations. It is definitely not a strictly MD book, and it has a good deal of help for MMC.

This is a Bible of MD simulations.

First it looks good, and then apparently it's new and in good quality with every page. I will read it and use it carefully, cos I want keep for very long time.

Great book. Hopefully a new edition will come out soon.

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.

This is a very didactic book, covering the basics aspects of molecular simulations methods (both MC and MD) in a relatively easy fashion.