Modelling Patchy Particles

In this tutorial you will implement the Kern–Frenkel potential as a model for patchy particle interactions. To do so, you will use the hpmc.pair.user module, which enables the addition of user-defined, arbitrary, pairwise energetic interactions to a HPMC simulation.

Prerequisites:

This tutorial assumes you are familiar with the concepts introduced in Introducing HOOMD-blue and Introducing Molecular Dynamics.

Outline

• Kern–Frenkel Model
• Simulating a System of Patchy Particles

This tutorial is written with jupyter. You can download the source from the hoomd-examples repository.