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# 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. Most of the tutorials will use the `EMT` potential, but any other `Calculator` could be plugged in instead.

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).

Note

You can also take a look at tutorials from previous Events.

Note

The `ase.ga` package has moved to ase-ga including tutorials.

## Gallery

Periodic Table

Periodic Table

### 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.

ASE Introduction: Nitrogen on copper

ASE Introduction: Nitrogen on copper

Atoms and calculators

Atoms and calculators

Structure optimization: H2O

Structure optimization: H_2O

Manipulating Atoms

Manipulating Atoms

Nanoparticle

Nanoparticle

### Python Examples

This is a collection of python examples.

What is Python?

What is Python?

Numeric arrays in Python

Numeric arrays in Python

### ASE Tutorials

This is a collection of more advanced tutorials for ASE.

ASE Databases: An Introduction

ASE Databases: An Introduction

ASE Databases: Surface adsorption study

ASE Databases: Surface adsorption study

Atomization energy

Atomization energy

Band Structures of Bulk Structures

Band Structures of Bulk Structures

Bulk Structures and Relaxations

Bulk Structures and Relaxations

Constrained Calculations - Surface diffusion energy barriers

Constrained Calculations - Surface diffusion energy barriers

Defect calculations: ASE Tools

Defect calculations: ASE Tools

Surface diffusion energy barriers using the Nudged Elastic Band (NEB) method

Surface diffusion energy barriers using the Nudged Elastic Band (NEB) method

Dimensionality analysis

Dimensionality analysis

EOS: Introduction to the Equation of state

EOS: Introduction to the Equation of state

EOS: Calculating Delta-values

EOS: Calculating Delta-values

Equilibrating a box of acetonitrile with MD

Equilibrating a box of acetonitrile with MD

Equilibrating a TIPnP Water Box

Equilibrating a TIPnP Water Box

Global optimization: Constrained minima hopping

Global optimization: Constrained minima hopping

Lattice constants using EOS and the stress tensor

Lattice constants using EOS and the stress tensor

Molecular dynamics

Molecular dynamics

NEB: Dissociation of a molecule using the 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 with IDPP: |subst|

NEB and Dimer method for Self-diffusion on the Al(110) surface

NEB and Dimer method for Self-diffusion on the Al(110) surface

QM/MM Simulations with ASE

QM/MM Simulations with ASE

Vibrational Modes of a Molecule

Vibrational Modes of a Molecule

Partly occupied Wannier Functions

Partly occupied Wannier Functions

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