exercises:common:index

Table of Contents

Exercises

Exercises

The following exercises are maintained by Jinggang Lan (jinggang.lan@epfl.ch).

Code Structure

Useful Tools

Stationary Point Optimization

Geometry Optimization

Transition State Optimization via Nudged Elastic Band (NEB) Method

Equation of States (EOS)

Calculations of Properties

Density of States

Band Structure

Workfunction

Charge Density Difference

Vibrational Analysis

Molecular Dynamics

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

Electronic Structure

GGA, Meta-GGA and LIBXC

Hybrid Functional

van der Waals

Wavefunction based Methods

Machine Learning

Machine Learning Potential

exercises/common/index.txt · Last modified: 2022/09/20 15:37 by jglan