exercises:2015_uzh_molsim:index
This is an old revision of the document!
Table of Contents
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 2015.
Introduction (tentative)
Getting familiar with the command line, Gnuplot and VMD.
- cp2k running a simple example with CP2K]]
Required files | intro.tar |
Week 1 (tentative)
Week 2 (tentative)
Sampling dynamical properties, dealing with surfaces of crystals and a glimpse of QM/MM.
Required files | week2.tar |
Week 3 (tentative)
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 |
exercises/2015_uzh_molsim/index.1430738117.txt.gz · Last modified: 2020/08/21 10:15 (external edit)