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# System prepended metadata

title: An interface to preCICE in pyiron workflows

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# An interface to preCICE in pyiron workflows
Authors: Muhammad Hassani, Jan Janssen, Tilmann Hickel, Jörg Neugebauer

[Pyiron](pyiron.org) is an integrated development environment for materials science, in which all relevant steps to develop and execute a simulation workflow can be combined. This includes the initial setup, the remote/interactive HPC submission, the post-processing, data mining, and data visualization. Besides the core components for the workflow management, pyiron provides a unified language for multiple simulation tools. Examples are density funcational theory calculations on the electronic scale with [Sphinx](http://sxrepo.mpie.de), molecular dynamics simulations on the atomic scale with [LAMMPS](http://www.lammps.org) or simulations of the elastoplatic response of materials on the continuum scale with [DAMASK](https://damask.mpie.de/).

Using a Jupyter environment, pyiron worklows are easily accessible, can be shared  alongside their publications, are reproducible and reusable, benefitting in particular from the interoperability between various simulation tools.

Here, we present our recently developed pyiron job class to couple continuum scale tools using the preCICE python API. An example of two FEniCS simulations, coupled to solve heat transfer equations, is chosen as a demonstrator to highlight the ease and flexibility of using pyiron.




