Table of Contents

Exercises

The following exercises are part of the course Advanced concepts of Physical Chemistry II: Statistical Mechanics and Molecular Simulations held at University Zürich during the spring semester 2020.

Please send the report in PDF format to the teaching assistant before the deadline.

Exercise 0

login local cluster TCOPT2

cp2k calculation and visulization

Exercise 1

Lennard-Jones liquids

Deadline: 28th April 2020

Exercise 2

Molecular Solutions

Exercise 3

Nudged elastic band and free energy calculations