Publications of Claudia Draxl

Scheffler, M.; Aeschlimann, M.; Albrecht, M.; Bereau, T.; Bungartz, H.-J.; Felser, C.; Greiner, M.; Groß, A.; Koch, C. T.; Kremer, K. et al.; Nagel, W. E.; Scheidgen, M.; Wöll, C.; Draxl, C.: FAIR data enabling new horizons for materials research. Nature 604 (7907), pp. 635 - 642 (2022)

Carbogno, C.; Thygesen, K. S.; Bieniek, B.; Draxl, C.; Ghiringhelli, L. M.; Gulans, A.; Hofmann, O. T.; Jacobsen, K. W.; Lubeck, S.; Mortensen, J. J. et al.; Strange, M.; Wruss, E.; Scheffler, M.: Numerical quality control for DFT-based materials databases. npj Computational Materials 8, 69 (2022)

Aggoune, W.; Eljarrat, A.; Nabok, D.; Irmscher, K.; Zupancic, M.; Galazka, Z.; Albrecht, M.; Koch, C.; Draxl, C.: A consistent picture of excitations in cubic BaSnO₃ revealed by combining theory and experiment. Communications Materials 3, 12 (2022)

Schmidt-Mende, L.; Dyakonov, V.; Olthof, S.; Ünlü, F.; Lê, K. M. T.; Mathur, S.; Karabanov, A. D.; Lupascu, D. C.; Herz, L. M.; Hinderhofer, A. et al.; Schreiber, F.; Chernikov, A.; Egger, D. A.; Shargaieva, O.; Cocchi, C.; Unger, E.; Saliba, M.; Byranvand, M. M.; Kroll, M.; Nehm, F.; Leo, K.; Redinger, A.; Höcker, J.; Kirchartz, T.; Warby, J.; Gutierrez-Partida, E.; Neher, D.; Stolterfoht, M.; Würfel, U.; Unmüssig, M.; Herterich, J.; Baretzky, C.; Mohanraj, J.; Thelakkat, M.; Maheu, C.; Jaegermann, W.; Mayer, T.; Rieger, J.; Fauster, T.; Niesner, D.; Yang, F.; Albrecht, S.; Riedl, T.; Fakharuddin, A.; Vasilopoulou, M.; Vaynzof, Y.; Moia, D.; Maier, J.; Franckevičius, M.; Gulbinas, V.; Kerner, R. A.; Zhao, L.; Rand, B. P.; Glück, N.; Bein, T.; Matteocci, F.; Castriotta, L. A.; Carlo, A. D.; Scheffler, M.; Draxl, C.: Roadmap on organic–inorganic hybrid perovskite semiconductors and devices. APL Materials 9 (10), 109202 (2021)

Fu, Q.; Wu, F.; Wang, B.; Bu, Y.; Draxl, C.: Spatial Confinement as an Effective Strategy for Improving the Catalytic Selectivity in Acetylene Hydrogenation. ACS Applied Materials and Interfaces 12 (35), pp. 39352 - 39361 (2020)

Trunschke, A.; Draxl, C.; Schlögl, R.; Scheffler, M.: Digitale Katalyse. Jahrbuch / Max-Planck-Gesellschaft 2019, 11659628 (2020)

Draxl, C.: Artificial intelligence in materials science - hype or revolution? SPG Mitteilungen 59, p. 23 - 23 (2019)

Draxl, C.; Scheffler, M.: The NOMAD Laboratory: From Data Sharing to Artificial Intelligence. JPhys Materials 2 (3), 036001 (2019)

Draxl, C.; Scheffler, M.: NOMAD: The FAIR concept for big data-driven materials science. MRS Bulletin 43 (9), pp. 676 - 682 (2018)

Scheffler, M.; Draxl, C.: Ein FAIRes Datenkonzept der von Big Data gesteuerten Materialwissenschaften. Jahrbuch / Max-Planck-Gesellschaft, 12090594 (2018)

Troppenz, M.; Rigamonti, S.; Draxl, C.: Predicting Ground-State Configurations and Electronic Properties of the Thermoelectric Clathrates Ba₈Al_xSi_46–x and Sr₈Al_xSi_46–x. Chemistry of Materials 29 (6), pp. 2414 - 2424 (2017)

Draxl, C.; Scheidgen, M.; Zastrow, T.; Ritz, R.; Lederer, H.; Heinzel, S.; Scheffler, M.: The NOMAD Laboratory. In: High-Performance Computing and Data Science in the Max Planck Society, pp. 50 - 51. Max Planck Computing and Data Facility, Garching (2021)

Draxl, C.; Scheffler, M.: Big-Data-Driven Materials Science and its FAIR Data Infrastructure. In: Handbook of Materials Modeling, pp. 49 - 73 (Eds. Andreoni, W.; Yip, S.). Springer, Cham (2020)

Draxl, C.: Excitations in (Not So) Complex Materials: The Dilemma of Choosing the Right Method. 12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC 2020), Vancouver, Canada (2022)

Draxl, C.: From Traditional Physics Research to Data-Centric Approaches: The Role of Fairness. Seminar, PUNChLunch, PUNCH4NFDI Consortium, Online Event (2022)

Draxl, C.: From Traditional Physics Research to Data-Centric Approaches: How to Tackle the “I” in Fair. Seminar, Automatic-FLOW for Materials Disvovery (AFLOW), Online Event (2022)

Draxl, C.: From Theoretical X-Ray Spectroscopy to Data-Quality Assessment. SUNCAT Session, Theoretical X-ray Spectroscopy and Activity & Stability of Bimetallic Catalysts, Online Event (2022)

Draxl, C.: Green-X Library. NOMAD-Industry Workshop 2022, Berlin, Germany (2022)

Draxl, C.: From Research Islands and Data Silos to a Powerful Data Infrastructure. Talk, FAIRmat Tutorial on NOMAD Oasis and FAIR data collaboration and sharing, Online Event (2022)

Draxl, C.: From Traditional Physics Research to Data-Centric Approaches: The Role of Fairness. Physikalisches Kolloquium, Fakultät für Physik und Astronomie, Julius-Maximilians-Universität Würzburg, Würzburg, Germany (2022)