Curriculum Vitae and Publications Dr. Heike Fliegl

Dr. Heike Fliegl is a Senior Researcher at FIZ Karlsruhe with Prof. Dr. Harald Sack. She actively supports Prof. Sack on an administrative level regarding all NFDI (National German Research Data Infrastructure) consortia and activities the ISE (Information Service Engineering) group is involved in. Before (2018–2022), she was working as a Scientific Manager in the group of Prof. Dr. Wolfgang Wenzel at the KIT Karlsruhe where she held a position as Managing Director in the BMBF funded Innovation Platform MaterialDigital. From 2012–2018 she worked as an independent researcher at the University of Oslo in the group of Prof. Dr. Trygve Helgaker at the Centre for Theoretical and Computational Chemistry (CTCC) and Hylleraas Centre, which were both centres of excellence, funded by the Norwegian Research Counsil (NRC). In 2014 she received a NFR Young Research Talents fellowship covering her own funding as well as a PhD student. Between 2010 and 2011 she worked as a postdoctoral fellow at the University of Helsinki in the group of Prof. Dr. Dage Sundholm. Dr. Fliegl studied chemistry at KIT Karlsruhe with a focus on Physical and Theoretical Chemistry. She received her PhD in Theoretical Chemistry in 2006 with Prof. Dr. Willem Klopper. She is one of the developers of the Dalton quantum chemistry programme and actively contributed to the GIMIC package for the calculation of gauge-including magnetically induced currents. She published over 60 paper in international journals with reviewing system, contributed to two books and acts as reviewer for several chemistry oriented journals.

2025

• Gesese, G.A., Chen, Z., Zoubia, O., Limani, F., Silva, K., Suryani, M.A., Zapilko, B., Castro, L.J., Kutafina, E., Solanki, D., Fliegl, H., Schimmler, S., Boukhers, Z. and Sack, H., 2025. A Survey on Metadata for Machine Learning Models and Datasets: Standards, Practices, and Harmonization Challenges. In CEUR Workshop Proceedings (Vol. 4065). https://ceur-ws.org/Vol-4065/paper05.pdf [bibTeX]
• Silva, K., Ackermann, M.R., Fliegl, H., Gesese, G.A., Limani, F., Mayr, P., Mutschke, P., Oelen, A., Suryani, M.A., Upadhyaya, S., Zapilko, B., Sack, H. and Dietze, S. 2025. Research Knowledge Graphs in NFDI4DataScience: Key Activities, Achievements, and Future Directions. arXiv preprint arXiv:2508.02300. [bibTeX]
• Söhn, L. C., Tietz, T., Steller, J. J., Kehrein, P., Büttner, A., Bruns, O., Posthumus, E., Grünewälder, J.-P., Hörnschemeyer, J., Sander, C., Grund, V., Fliegl, H., Sack, H., & Schrade, T. (2025). NFDI4Culture Integration Stories: Bridging Gaps between isolated Research Resources. Digital Humanities 2025: Accessibility & Citizenship (DH2025), Lisbon, Portugal. Zenodo. [bibtex] https://doi.org/10.5281/zenodo.16570076
  Poster: https://zenodo.org/records/15878213 

2024

• J. J. Steller, L. C. Söhn, J. Tolksdorf, O. Bruns, T. Tietz, E. Posthumus, H. Fliegl, S. Pittroff, H. Sack, T. Schrad: Communities, Harvesting, and CGIF: Building the Research Data Graph at NFDI4Culture. In Proc. of the DHd 2024, 10. Tagung des Verbands Digital Humanities im deutschsprachigen Raum. [(BibTeX) | (presentation slides)].
• Miwa, K., and Yokota, T.,  Wang, Q.,  Sakurai, T., Fliegl, H., Sundholm, D.,  Shinokubo, H., Metallaantiaromaticity of 10-Platinacorrole Complexes, 
  Journal of the American Chemical Society, Volume 146, 2024, DOI: https://doi.org/10.1021/jacs.3c10250 [local copy (PDF) | bibtex]

2023

• T. Tietz, O. Bruns, L. Söhn, J. Tolksdorf, E. Posthumus, J.J. Steller, H. Fliegl, E. Norouzi, J. Waitelonis, T. Schrade, H. Sack: From Floppy Disks to 5-Star LOD: FAIR Research Infrastructure for NFDI4Culture. In Proc. of 3rd Workshop on Metadata and Research (objects) Management for Linked Open Science - DaMaLOS 2023. [local copy (PDF) | (BibTeX) | (presentation slides)].
• T. Tietz, O. Bruns, H. Fliegl, E. Posthumus, T. Schrade, H. Sack: Knowledge Graph-basierte Forschungsdatenintegration in NFDI4Culture. In Proc. of the DHd 2023, Open Humanities Open Culture, 9. Tagung des Verbands Digital Humanities im deutschsprachigen Raum. DOI: 10.5281/zenodo.7748740, [local copy (PDF) | (BibTeX)].

2021

• M. Alam, H. Birkholz, D. Dessì, C. Eberl, H. Fliegl, P. Gumbsch, P. von Hartrott, L. Mädler, M. Niebel, H. Sack, A. Thomas: Ontology Modelling for Materials Science Experiments. In Proc. of the 16th International Conference on Semantic Systems (SEMANTiCS 2021 EU), Posters & Demos, CEUR workshop proceedings, Vol. 2941, CEUR-WS.org, online at http://ceur-ws.org/Vol-2941/. [local copy (PDF) | (BibTeX)].

Dr. Heike Fliegl Website
https://heikef.github.io/

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