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 2021.

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

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cp2k calculation and visualization

Lennard-Jones liquids

Deadline: May 6th, 2021

Molecular solutions

Deadline: May 27th, 2021

Nudged elastic band and free energy calculations

Deadline: June 3rd, 2021