ReaxFF-GUI tutorials

This section contains tutorials that show you how to use ReaxFF via the ReaxFF-GUI. As the ReaxFF-GUI is very similar to the ADF-GUI, we will focus here on ReaxFF specific features.

If you are not familiar with the ADF-GUI (or the ReaxFF-GUI), please have a look at the Introduction and GUI Overview tutorials.

For example, it will show you how to start the ReaxFF-GUI, and how to manually edit molecules.

The first tutorial provides you with an overview over all relevant GUI modules. It will create a mixture of methane and oxygen, and burn it. This will clearly demonstrate that ReaxFF can handle reactions.

The second tutorial will show you how to set up a more complex system and how to use some of the advanced features of ReaxFF. In setting up the system you will also find out how to create an aluminum surface.


Additional ReaxFF tutorials can be found under Advanced tutorials and in the materials from the Advanced ReaxFF workshop on GCMC, fbMC, and parameterization.