Dresden 2026 – scientific programme
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AKPIK: Arbeitskreis Physik, moderne Informationstechnologie und Künstliche Intelligenz
AKPIK 3: Research with AI: Hardware, Software, Tools
AKPIK 3.2: Talk
Tuesday, March 10, 2026, 11:15–11:30, BEY/0127
Executable Manuscripts as Jupyter Notebooks: The Next Evolution in Scientific Publishing? — •Sebastian Rejman1,2, Ina Vollmer2, and Bert Marc Weckhuysen2 — 1Fritz-Haber-Institute of the Max-Planck-Society, Berlin, Germany — 2Utrecht University, Utrecht, The Netherlands
The scientific paper as we know it today has remained largely unchanged for over a century. While color figures are now standard, and the supporting information contains more and more of the evidence, the manuscript itself remains a static pdf. The tools available to us, however, have drastically improved. Internet connections are faster, compute and storage are cheap, and high-level programming languages like Python make analysis automation accessible to the non-expert programmer.
Jupyter Notebooks, familiar to many students learning to program, allow to combine text with code and interactive figures. These notebooks, if used together with data repositories like OSF along with analysis code hosted on GitHub, allow for a transparent and reusable publication of research results. The reader can reproduce the analysis and figures at the push of the button, and easily re-purpose both analysis code and the underlying data - Paving the way for studies with large datasets in the field of chemistry and the natural sciences in general.
In this contribution, we demonstrate the executable version of our recent work on the role of external acidity in the cracking of plastics and provide practical guidance for implementation.
Keywords: Open Science; Executable Papers; Physical Chemistry; Digital Catalysis