MDLecturesWKMBP2020

This repository contains the lecture Materials for the Molecular Dynamics section (2nd part) of the TU Dresden physics course "Numerics and Computer Simulations in Soft Condensed Matter".

There is also a website for this lecture.

Here, you find the materials (jupyter-notebooks, LAMMPS and Python scripts), and worksheets.

The first part (Introduction and Monte Carlo Methods) of this series of lectures, given by Martin Wengenmayr, can be found here.

Requirements

For lectures 1 and 2

• Python3 with numpy, matplotlib and pandas (best way is to install anaconda)
• Jupyter notebook

For lectures 3 and later

In addition to using Python scripts for analysis, we are working with:

• LAMMPS (3Mar2020 or later)
• VMD or Ovito for visualization (optional)

How to use

To get the contents of this repo, type into your shell

git clone https://github.com/Markus91Koch/MDLecturesWKMBP2020.git

Each lecture contains a PDF file with instructions to solve the problems.

Furthermore, the solutions are provided for comparison.