Department of Chemical Engineering


Computational Physics and Chemistry

Exercises to accompany 'Understanding Molecular Simulations: From Algorithms to Applications' by Daan Frenkel and Berend Smit

On this page you can find the FORTRAN source code and further instructions for the Exercises belonging to the book 'Understanding Molecular Simulations' by D. Frenkel and B. Smit. To return to the homepage of the book, follow this link. Information on the Case Studies in the book can be found here .

The following Exercises are presented in the book. Clicking on the name of the Exercise will lead you to a page where you can download this Exercise. It is also possible to download all Exercises in one file in zip-format or tar.gz-format. All programs are pre-compiled for Redhat Linux 6.1 (Cartman) on an i386.

!!! Important !!! Before starting working on the exercises, you should download a lib-directory. This directory contains the random number generators you will need for many of the exercises. The directory can be downloaded in zip-format or in tar.gz-format and you should download it to the same directory as the exercise files.