Workflows for Reproducible Computational Science and Data Science

DASHH Doctoral Researcher: Daniel Bremer

Supervisors: Prof. Hans Fangohr (MPSD), Prof. Thomas Ludwig (UHH)

Data analysis of scientific data obtained from simulations or experiments is a main activity in many research disciplines, and is essential to convert the obtained data into understanding, publications and impact. A topic that receives growing attention is that of reproducibility and re-usability: Given a publication, it should be possible for readers to reproduce the results published in the paper, particularly so if these are based on computational processes. This forms the basis for re-use of the work, for example to extend software to carry out a related but new study. In practice, this is often impossible. In this project, we investigate the process of computational science research, including computing simulation and data analysis towards publication, with the aim to improve this workflow. Challenges include preservation of all computation and processing steps, the specialist software, and its computation environment so that the computation can be reproduced and re-used in future research. Objectives are to make the process reproducible, convenient and effective.


Further information are available at https://fangohr.github.io/vacancies/reproducible-workflows.html or by contacting Hans Fangohr (hans.fangohr@mpsd.mpg.de).