SKM 2023 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 68: Focus Session: Making Experimental Data F.A.I.R. – New Concepts for Research Data Management II (joint session O/TT)
TT 68.5: Vortrag
Freitag, 31. März 2023, 10:45–11:00, WIL A317
FAIRifying Material Synthesis with the NOMAD Electronic Laboratory Notebook (ELN) — •Andrea Albino1, Hampus Näsström1, Florian Dobener1, Jose Marquez Prieto1, Lauri Himanen1, David Sikter1, Mohammad Nakhaee1, Amir Golparvar1, Sebastian Brückner1, Martin Albrecht2, Markus Scheidgen1, and Claudia Draxl1,3 — 1Physics Department and IRIS Adlershof, Humboldt-Universität zu Berlin, Berlin, Germany. — 2Leibniz-Institut für Kristallzüchtung, Berlin, Germany. — 3The NOMAD Laboratory at the Fritz Haber Institute of the Max Planck Society, Berlin, Germany.
Approaching the era of big data-driven materials science, one crucial step to collecting, describing, and sharing experimental data is the adoption of ELNs. The project FAIRmat (fairmat-nfdi.eu) is offering such tools by developing and operating the open-source software NOMAD. The NOMAD ELN aims at offering a secure environment to protect the integrity of both data and metadata, whilst also affording the flexibility to adopt new synthetic processes or changes to existing ones without recourse to further software development.
We find that to promote an early adoption, it is important to adapt to a single user's needs and workflows. An inductive approach, going from a particular set of experiments to a general description of the similarities recurring in each of them, led us to adopt a common data structure as a standard. The state-of-the-art ELN features for a synthetic process will be shown in the talk, highlighting the development of both data modeling and specific implementation solutions.