Modeling Active Particles in MD

This tutorial explains how to model active, self-propelled particles in MD simulations.

Prerequisites:

• This tutorial assumes you have some familiarity with the Python programming language.

• This tutorial assumes a basic understanding of the fundamentals of HOOMD-Blue.

• Section 3 of this tutorial compresses the simulation box as an example way to induce Motility-Induced Phase Separation (MIPS). Please refer to the Introducing HOOMD-blue tutorial for more details as to how this compression is done.

• Section 4 of this tutorial uses an example with self-propelled dimers which are made with rigid bodies in MD. Please refer to the Modelling Rigid Bodies tutorial for more details as to how this is done.

Outline

• Introduction to Active Particles
• Modeling Active Brownian Particles (ABP Model)
• Motility-Induced Phase Separation (MIPS) in 2D Systems
• Applying Active Forces on Rigid Bodies

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