Tutorials#
This directory contains examples of how to use ASE.
For running the examples install ase.
pip install ase
Some more advanced examples might need additional packages.
We are still porting old tutorials to the current tutorial format. Many tutorials are available here, but some may not have been ported yet. Tutorials still in legacy format can be found under Getting started (legacy format) and Tutorials (legacy format).
Note
You can also take a look at tutorials from previous Events.
Gallery#
Introduction Examples#
This is a collection of starting examples. It contains the introduction example of ase, including an introduction to the aoms object, how to read and write structures, adding a calculator, relax structures, visualize and run molecular dynamics.
Python Examples#
This is a collection of python examples.
ASE Tutorials#
This is a collection of more advanced tutorials for ASE.
Constrained Calculations - Surface diffusion energy barriers
Surface diffusion energy barriers using the Nudged Elastic Band (NEB) method
NEB: Dissociation of a molecule using the NEB method
NEB with IDPP: Image Dependent Pair Potential for improved interpolation of NEB initial guess
NEB and Dimer method for Self-diffusion on the Al(110) surface
