# CP2K Open Source Molecular Dynamics

### Sidebar

#### For Developers

exercises:2014_uzh_molsim:index

# Molecular Simulations

The following exercises are part of the the course Molecular simulations held by Marcella Iannuzzi at the University of Zurich during the spring semester 2014.

## Introduction

Getting familiar with the command line, Gnuplot and VMD.

 Required files intro.tar

## Week 1

Ingredients of a force field and molecular dynamics in action.

 Required files week1.tar

## Week 2

Sampling dynamical properties, dealing with surfaces of crystals and a glimpse of QM/MM.

 Required files week2.tar

## Week 3

The 'chemical reaction' of $\text{NaCl}$ dissociating into $\text{Na}^+$ and $\text{Cl}^-$ in an aqueous environment and an example of a two-dimensional potential energy surface.

 Required files week3.tar