Computational Modelling Group

Seminar  14th December 2022 3 p.m.  27/2003

Reproducibility, Jupyter notebooks and associated research software engineering

Hans Fangohr
Max Planck Institute for the Structure and Dynamics of Matter & University of Southampton

Categories
Cloud computing, Computer Science, Continuous Integration, CVS, Data Science, Docker, e-Research, Git, IPython/Jupyter Notebook, Jenkins, Mercurial, NGCM, Scientific Computing, Software Engineering, Sourcesafe, SVN, Vagrant, VirtualBox, Visualisation
Submitter
Hans Fangohr

Schematic representation of workflow that lead to the creation of figures in publications. The talk will discuss options for making such work flows reproducible.

The talk will introduce the topic of reproducibility in science: what is reproducibility, why does it matter and why is to hard to achieve? It will discuss abstract requirements for reproducibility and try connect these to concrete measures we can take in day-to-day research to make our results more reproducible. The potential of Jupyter Notebooks and the Jupyter ecosystem is explored.

This talk will be of interest to everyone who wants to ensure that the computational apsects of their research is reproducible and re-usable and to see how this can help meet the requirements of journals for manuscript submission and for UKRI Responsible Research and Innovation (RRI). Following good practice for reproducibility will also make research life easier, especially when writing up work.