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.

login local cluster TCOPT2

cp2k calculation and visulization

Lennard-Jones liquids

Deadline: 28th April 2020

Molecular Solutions

Nudged elastic band and free energy calculations