zetabc / self_assembly_simulation

Hard-Sphere-Monte-Carlo

Introduction

This repository is set up for the computational nanoscience course by Paddy Royall. Fergus and Yushi wrote some basic Monte-Carlo simulations code mentioned in the course.

The code is written in a way that anyone without prior programming experiences could easily understand it. We deliberately avoided any advanced python features and libraries. If you are looking for good and pythonic code, please take a look at the Josh's repository, which performs the same Monte-Carlo simulation.

What to Do

There are four steps towards a successful Monte-Carlo simulation of hard spheres.

1. Simulating a random gas with the periodic boundary condition (PBC).
2. Simulating repelling hard spheres with PBC.
3. Simulating attracting hard spheres with PBC.
4. Change the parameters and observe different behaviours.

You are expected to write you own code in the class, and we will upload our version to this repository after each course as a reference.