The following exercises are maintained by Jinggang Lan.

The request for a tutorial on a specific topic can be sent to jinggang.lan@epfl.ch.

• Code Structure

• Geometry Optimization

• Transition State Optimization via Nudged Elastic Band (NEB) Method

• Equation of States (EOS)

• Density of States

• Band Structure

• Workfunction

• Charge Density Difference

• Vibrational Analysis

• Ensembles

• Ab-initio Molecular Dynamics

• Second Generation Car-Parrinello Molecular Dynamics

• Path-Integral Molecular Dynamics

• Run CP2K with I-PI

• Blue Moon Ensemble

• Meta-dynamics

• GGA and Meta-GGA

• Hybrid Functional

• van der Waals

• Wavefunction based Methods

• Machine Learning Potential