Below, you find links to non-interactive html versions of the tutorials. Alternatively, for a fully interactive experience, you can download the corresponding Jupyter notebooks of the tutorials. To use this option, read the instructions below.
A list of old tutorials can be found here.
In this tutorial, you will learn how to create a set of structures with the purpose of training a cluster exapnsion (CE) model.
Learn to create a pool of clusters. A clusters pool can be used to define the basis set for the expansion of configuration-dependent properties in terms of cluster functions, such that a given configuration-dependent property can be expanded in term of them
In this tutorial, you will learn how to build a cluster expansion model for a complex surface system.
In this tutorial you will learn how to calculate thermodynamic properties by using the Metropolis Monte-Carlo method or the Wang-Landau method. The application of both sampling methods will be demonstrated on the Pt/Cu(111) surface alloy.
Note: To run this tutorial, you will need one of the following files:
In this tutorial we will generate a cluster expansion model for
predicting the energy of a Cu-Ni nanoparticle. This demonstrates
the ability of CELL to perform the CE of finite (0D) systems.
First download the corresponding notebook (named tutorial#.ipynb) to some folder
(e.g. my_tutorials/). Then in a terminal execute:
$> cd my_tutorials
$> jupyter-nbextension enable nglview --py
this will couple the nglview atom viewer for use on the jupyter notebooks.
Next, execute:
$> jupyter notebook
This will open a file tree on the default internet browser. From there, you can execute the different downloaded tutorials.