Table of Contents

Exercises

The following exercises are part of the the course Advanced concepts of Physical Chemistry II: Statistical Mechanics and Molecular Simulations held at University Zürich during the spring semester 2019.

Exercise 0

cp2k installation and shell environments

login local cluster TCOPT2

Exercise 1

Lennard-Jones liquids

Exercise 2

Molecular Solutions

Exercise 3

Nudged elastic band and free energy calculations