Dr. Heike Fliegl, Master of Science
- Room:
CN 241 - heike fliegl3 ∂ kit edu
- Hermann-von-Helmholtz-Platz 1
76344 Eggenstein-Leopoldshafen
Curriculum Vitae
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.
Homepage
Publications
Miwa, K.; Yokota, T.; Wang, Q.; Sakurai, T.; Fliegl, H.; Sundholm, D.; Shinokubo, H.
2024. Journal of the American Chemical Society, 146 (2), 1396–1402. doi:10.1021/jacs.3c10250
Steller, J. J.; Söhn, L. C.; Tolksdorf, J.; Bruns, O.; Tietz, T.; Posthumus, E.; Fliegl, H.; Pittroff, S.; Sack, H.; Schrade, T.
2024. J. Weis, E. Bunout, T. Haider & P. Helling (Eds.), Book of Abstracts - DHd2024, 131–135, Zenodo. doi:10.5281/zenodo.10698301
Tietz, T.; Bruns, O.; Fliegl, H.; Posthumus, E.; Schrade, T.; Sack, H.
2023. DHd2023: Open Humanities, Open Culture: 9. Jahrestagung des Verbands Digital Humanities im deutschsprachigen Raum e.V. : Universität Luxemburg&Universität Trier, 13. bis 17. März 2023. doi:10.5281/zenodo.7688632
Söhn, L. C.; Bruns, O.; Steller, J. J.; Schrade, T.; Waitelonis, J.; Tietz, T.; Tolksdorf, J.; Posthumus, E.; Fliegl, H.; Norouzi, E.; Sack, H.
2023. PUBLISSO. doi:10.4126/FRL01-006444986
Kawashima, H.; Ukai, S.; Nozawa, R.; Fukui, N.; Fitzsimmons, G.; Kowalczyk, T.; Fliegl, H.; Shinokubo, H.
2021. Journal of the American Chemical Society, 143 (28), 10676–10685. doi:10.1021/jacs.1c04348
Jinger, R. K.; Fliegl, H.; Bast, R.; Dimitrova, M.; Lehtola, S.; Sundholm, D.
2021. The journal of physical chemistry <Washington, DC> / A, 125 (8), 1778–1786. doi:10.1021/acs.jpca.0c10884
Lehtola, S.; Dimitrova, M.; Fliegl, H.; Sundholm, D.
2021
Lehtola, S.; Dimitrova, M.; Fliegl, H.; Sundholm, D.
2021. Journal of chemical theory and computation, 17 (3), 1457–1468. doi:10.1021/acs.jctc.0c01190
Fliegl, H.; Dimitrova, M.; Berger, R. J. F.; Sundholm, D.
2021. Chemistry, 3 (3), 1005–1021. doi:10.3390/chemistry3030072
Alam, M.; Birkholz, H.; Dessì, D.; Eberl, C.; Fliegl, H.; Gumbsch, P.; Hartrott, P. von; Mädler, L.; Niebel, M.; Sack, H.; Thomas, A.
2021. SemanticsP&Ds 2021: Semantics Compound Volume 2021 ; Joint Proceedings of the Semantics co-located events: Poster&Demo track and Workshop on Ontology-Driven Conceptual Modelling of Digital Twins, co-located with Semantics 2021 ; Amsterdam and Online, September 6-9, 2021. Ed.: I. Tiddi, RWTH Aachen
Valiev, R. R.; Valiulina, L. I.; Fliegl, H.; Sundholm, D.
2020. New journal of chemistry, 44 (47), 20643–20650. doi:10.1039/D0NJ04470A
Danilov, D.; Sedghamiz, E.; Fliegl, H.; Frisch, H.; Barner-Kowollik, C.; Wenzel, W.
2020. Polymer chemistry, 11 (20), 3439–3445. doi:10.1039/d0py00133c
Nozawa, R.; Kim, J.; Oh, J.; Lamping, A.; Wang, Y.; Shimizu, S.; Hisaki, I.; Kowalczyk, T.; Fliegl, H.; Kim, D.; Shinokubo, H.
2019. Nature Communications, 10 (1), Article No.3576. doi:10.1038/s41467-019-11467-4
Omori, H.; Hiroto, S.; Takeda, Y.; Fliegl, H.; Minakata, S.; Shinokubo, H.
2019. Journal of the American Chemical Society, 141 (12), 4800–4805. doi:10.1021/jacs.8b13169
Benkyi, I.; Tapavicza, E.; Fliegl, H.; Sundholm, D.
2019. Physical chemistry, chemical physics, 21 (37), 21094–21103. doi:10.1039/c9cp04178h
Aidas, K.; Angeli, C.; Bak, K. L.; Bakken, V.; Bast, R.; Boman, L.; Christiansen, O.; Cimiraglia, R.; Coriani, S.; Dahle, P.; Dalskov, E. K.; Ekström, U.; Enevoldsen, T.; Eriksen, J. J.; Ettenhuber, P.; Fernández, B.; Ferrighi, L.; Fliegl, H.; Frediani, L.; Hald, K.; Halkier, A.; Hättig, C.; Heiberg, H.; Helgaker, T.; Hennum, A. C.; Hettema, H.; Hjertenaes, E.; Hoest, S.; Hoeyvik, I.-M.; Iozzi, M. F.; Jansík, B.; Jensen, H. J. A.; Jonsson, D.; Joergensen, P.; Kauczor, J.; Kirpekar, S.; Kjaergaard, T.; Klopper, W.; Knecht, S.; Kobayashi, R.; Koch, H.; Kongsted, J.; Krapp, A.; Kristensen, K.; Ligabue, A.; Lutnaes, O. B.; Melo, J. I.; Mikkelsen, K. V.; Myhre, R. H.; Neiss, C.; Nielsen, C. B.; Norman, P.; Olsen, J.; Olsen, J. M. H.; Osted, A.; Packer, M. J.; Pawlowski, F.; Pedersen, T. B.; Provasi, P. F.; Reine, S.; Rinkevicius, Z.; Ruden, T. A.; Ruud, K.; Rybkin, V. V.; Salek, P.; Samson, C. C. M.; De Merás, A. S.; Saue, T.; Sauer, S. P. A.; Schimmelpfennig, B.; Sneskov, K.; Steindal, A. H.; Sylvester-Hvid, K. O.; Taylor, P. R.; Teale, A. M.; Tellgren, E. I.; Tew, D. P.; Thorvaldsen, A. J.; Thoegersen, L.; Vahtras, O.; Watson, M. A.; Wilson, D. J. D.; Ziolkowski, M.; Aegren, H.
2014. Wiley interdisciplinary reviews / Computational Molecular Science, 4 (3), 269–284. doi:10.1002/wcms.1172
Schramm, F.; Meded, V.; Fliegl, H.; Fink, K.; Fuhr, O.; Qu, Z.; Klopper, W.; Finn, S.; Keyes, T. E.; Ruben, M.
2012. German-Japanese Coordination Chemistry Meeting, Münster, October 25, 2012
Schramm, F.; Meded, V.; Fliegl, H.; Fink, K.; Fuhr, O.; Qu, Z.; Klopper, W.; Finn, S.; Keyes, T. E.; Ruben, M.
2011. OLED100.eu Summer School 2011, Krögis, May 23-29, 2011
Soloshonok, V. A.; Ono, T.; Ueki, H. E.; Vanthuyne, N.; Balaban, T. S.; Bürck, J.; Fliegl, H.; Klopper, W.; Naubron, J.-V.; Bui, T. T. T.; Drake, A. F.; Roussel, C.
2010. Journal of the American Chemical Society, 132 (30), 10477–10483. doi:10.1021/ja103296g
Fliegl, H.; Sundholm, D.; Taubert, S.; Pichierri, F.
2010. Journal of Physical Chemistry A, 114, 7153–7161. doi:10.1021/jp1021517
Schramm, F.; Meded, V.; Fliegl, H.; Fink, K.; Fuhr, O.; Qu, Z.; Klopper, W.; Finn, S.; Keyes, T. E.; Ruben, M.
2010. International Bunsen Discussion Meeting on Light Harvesting and Solar Energy Conversion, Stuttgart, March 29-31, 2010 NanoVision 2010, Karlsruhe, December 8-9, 2010
Schramm, F.; Meded, V.; Fliegl, H.; Fink, K.; Fuhr, O.; Qu, Z.; Klopper, W.; Finn, S.; Keyes, T. E.; Ruben, M.
2009. European journal of inorganic chemistry, 48 (13), 5677–5684. doi:10.1021/ic802040v
Fliegl, H.; Sundholm, D.; Taubert, S.; Jusélius, J.; Klopper, W.
2009. Journal of chemical theory and computation, 113 (30), 8668–8676. doi:10.1021/jp9029776
Fliegl, H.; Fink, K.; Klopper, W.; Anson, C. E.; Powell, A. K.
2009. Winter School in Theoretical Chemistry, Helsinki, SF, December 13-17, 2009
Fliegl, H.; Köhn, A.; Klopper, W.
2009. Kooperationstreffen mit der BASF Theorie Gruppe Heidelberg, 2.März 2009
Fliegl, H.; Fink, K.; Klopper, W.; Anson, C. E.; Powell, A. K.; Clerac, R.
2009. Physical chemistry, chemical physics, 11, 3900–3909. doi:10.1039/b819444k
Fliegl, H.; Sundholm, D.; Taubert, S.; Juselius, J.; Klopper, W.
2009. 13th Internat.Congress of Quantum Chemistry (ICQC), Helsinki, SF, June 22-27, 2009
Schramm, F.; Meded, V.; Fliegl, H.; Fink, K.; Fuhr, O.; Qu, Z.; Klopper, W.; Finn, S.; Keyes, T. E.; Ruben, M.
2008. Vortr.: Universität Karlsruhe, 5.Dezember 2008
Fliegl, H.
2008. Vortr.: Universität Mainz, 10.Dezember 2008
Taubert, S.; Sundholm, D.; Juselius, J.; Klopper, W.; Fliegl, H.
2008. The journal of physical chemistry <Washington, DC> / A, 112, 13584–13592. doi:10.1021/jp805086q
Fliegl, H.; Klopper, W.; Balaban, T. S.
2008. Electronic Processes in π-Conjugated Materials, Würzburg, October 7-10, 2008
Fliegl, H.; Fink, K.; Klopper, W.; Anson, C. A.; Powell, A. K.; Clerac, R.
2008. SONS Workshop ’Magnetism at Surfaces’, Baden-Baden, September 28 - October 1, 2008
Fliegl, H.
2008. Quantenchemie Workshop, Hirschegg, A, 6.-9.März 2008
Fliegl, H.; Klopper, W.; Balaban, T. S.
2007. 43rd Symp.on Theoretical Chemistry (STC 2007), Saarbrücken, September 16-20, 2007 Internat.Karlsruhe Nanoscience Workshop ’Metal-rich Compounds’, Karlsruhe, October 8-10, 2007
Fliegl, H.; Glöß, A.; Welz, O.; Olzmann, M.; Klopper, W.
2006. The journal of chemical physics, 125 (5), Art.Nr.: 054312. doi:10.1063/1.2234372
Fliegl, H.
2006. Universitätsverlag Karlsruhe. doi:10.5445/KSP/1000004827
Fliegl, H.; Hättig, C.; Klopper, W.
2006. International journal of quantum chemistry, 106 (11), 2306–2317. doi:10.1002/qua.20991
Fliegl, H.; Hättig, C.; Klopper, W.
2006. The journal of chemical physics, (2005), 124 (4), Art.Nr. 044112. doi:10.1063/1.2161183
Klopper, W.; Fliegl, H.; Hättig, C.; Neiss, C.; Tew, D. P.
2005. 14th Conf.on Current Trends in Computational Chemistry, Jackson, Miss., November 4-5, 2005
Neiss, C.; Fliegl, H.; Hättig, C.; Klopper, W.
2005. Begutachtungskolloquium des DFG-Schwerpunktprogramms 1145, Bonn, 4.-6.Juli 2005
Fliegl, H.; Klopper, W.; Hättig, C.
2005. The journal of chemical physics, 122 (8), Art.Nr.: 084107. doi:10.1063/1.1850094
Klopper, W.; Fliegl, H.; Hättig, C.; Samson, C. C. M.
2004. Vortr.: Universität Bonn, 22.Januar 2004
Fliegl, H.; Köhn, A.; Hättig, C.; Ahlrichs, R.
2003. Journal of the American Chemical Society, 125, 9821–27. doi:10.1021/ja034433o