Introducing HOOMD-blue

HOOMD-blue is a Python package that performs Molecular Dynamics and hard particle Monte Carlo simulations. HOOMD-blue is general and can be used to model nanoparticles, bead-spring polymers, active matter, and many other types of systems. This tutorial introduces the core concepts in HOOMD-blue using hard particle self-assembly as an example. Later tutorials will expand on these concepts for other types of simulations.

Prerequisites:

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

Outline

• The Simulation Object
• Performing Hard Particle Monte Carlo Simulations
• Initializing the System State
• Randomizing the System
• Compressing the System
• Equilibrating the System
• Analyzing Trajectories

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