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News Digest – RDM in Natural Science: Week 40

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byBenjamin

Another week, another News Digest. So lets go!

FAIRmat

FAIRmat is the FAIR Data Infrastructure for Condensed-Matter Physics and the Chemical Physics of Solids, a consortium of the NFDI, the National Research Data Infrastructure in Germany.

Hackathon report – Data Management of Spectroscopy Simulations

On their news page (see here) FAIRmat is reporting about their first Hackathon. The Hackathon was all about spectroscopy simulations and how to create parsers for NOMAD. Check out the report, you will find slides from the event as well as one parser, which was developed from one of the participants.

Zenodo

A Python package called Pynxtools for data conversion according to the NeXus file format was uploaded to Zenodo as well as a NOMAD plugin for “Materials Science and Quantum Chemistry simulations”.

Pynxtools: A Python Library for NeXus-Compliant Experimental Data Conversion and Integration with NOMAD Platform
https://doi.org/10.5281/zenodo.13869496

NOMAD Simulations
https://doi.org/10.5281/zenodo.13838812

NFDI4Cat

NFDI4Cat is the consortium for sciences related to catalysis of the NFDI, the National Research Data Infrastructure in Germany.

Publication: Advancing digital catalysis through automation

In this publication, the authors used data management tools as well as FAIR data management to improve catalyst research and make the experiment data machine learning ready. You should definitely take a look at the publication and the provided links and materials, it is impressive what already can de achieved with open-source software and the will to rethink processes, implement new workflow and improve research. You can find the report of NFDI4Cat, as well as the article, here.

NFDI4Chem

NFDI4Chem is the Chemistry consortium for the NFDI, the National Research Data Infrastructure in Germany.

Consortium Meeting

In September, NFDI4Chem had a consortium meeting in Halle. For two days the NFDI4Chem members discussed past developments and future plans, especially for the planned second funding phase, as well as AI in chemistry, RDM in university education and the Semantic Data Hub by NFDI4Chem. Check out the full report here.

Stammtisch recording:  How to make your NMR data FAIR

The recording of the talk of the NFDI4Chem Stammtisch from June 2024 was uploaded to YouTube (here). The talk in June was all about NMR data and how to make it FAIR. After an introduction to NMR data and the history of NMR data, it is shown how the electronic lab notebook Chemotion ELN as well as the repositories Chemotion Repository and nmrXiv handle NMR data. If you are working with NMR data, you should definitely check out the recording, and for the rest I highly recommend it.

NFDI4Earth

NFDI4Earth is the Consortium Earth System Sciences of the NFDI, the National Research Data Infrastructure in Germany.

Workshop report

NFDI4Earth is reporting about a workshop on PUNCH4NFDI and their solutions to enable FAIR data management in earth system sciences. You can check out the report here. On the event page (which is linked in the article) you will also find the slides from the presentations as well as the overall program.

Zenodo

Reports and deliverables and milestones were published to Zenodo by NFDI4Earth. I would like to highlight the white paper “The NFDI4Earth Label – concept overview”. The NFDI4Earth Label is developed to help the earth system science community find the repositories.

Report and Evaluation of Incubator Lab Projects (NFDI4Earth Deliverable D1.2.6)
https://doi.org/10.5281/zenodo.13837883

Guidelines for the preparation of data for archiving (NFDI4Earth Deliverable D2.4.3)
https://doi.org/10.5281/zenodo.13837990

The NFDI4Earth Label – Concept Overview (NFDI4Earth White Paper)
https://doi.org/10.5281/zenodo.13711459

NFDI4Earth Label Status Report (NFDI4Earth Milestone MS3.2.1)
https://doi.org/10.5281/zenodo.13711420

RDM Education and Data Science Training (NFDI4Earth Report)
https://doi.org/10.5281/zenodo.13837959

Target group-specific curricula (NFDI4Earth Milestone MS1.3.9)
https://doi.org/10.5281/zenodo.13768718

Modular NFDI4Earth-ready course materials published under an open license (NFDI4Earth Milestone MS1.3.4)
https://doi.org/10.5281/zenodo.13769914

PSDI

PSDI is the Physical Sciences Data Infrastructure in the UK.

Zenodo

As I said before, I like slides from PSDI presentations, and this time it is one on the topic of “The Semantic Web”. Great slides and the meme game is on point! I hope to see one of these PSDI talks live sometime.

The Semantic Web is Dead – Long Live the Semantic Web The Future of Semantics in the Physical Sciences (and beyond!)
https://doi.org/10.5281/zenodo.13882075

Outro

That is it for today. Thank you for ready and see you next week!

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