Ali Khosravi
I completed a PhD in computational condensed matter physics in SISSA (Italy) and published various research papers (https://orcid.org/0000-0002-6933-3642) on different topics.
During this time, I discovered my interest in programming and decided to pursue it professionally.
Paul Scherrer Institute
Git*hub|lab –Session
In computational science, different software packages are often glued together as scripts to perform numerical experiments. With increasing complexity, these scripts become unmaintainable, prone to crashes, hard to scale up and to collaborate on. AiiDA solves these problems via a powerful workflow engine and by keeping provenance for the entire workflow. In this tutorial, we learn how to create dynamic workflows combining together different executables that automatically can restart from failed runs and reuse results from completed calculations via caching.