Publications of Claudia Draxl

Journal Article (13)

2022
Journal Article
Aggoune, Wahib, Alberto Eljarrat, Dmitrii Nabok, Klaus Irmscher, Martina Zupancic, Zbigniew Galazka, Martin Albrecht, Christoph Koch and Claudia Draxl: A consistent picture of excitations in cubic BaSnO3 revealed by combining theory and experiment.
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Journal Article
Carbogno, Christian, Kristian Sommer Thygesen, Björn Bieniek, Claudia Draxl, Luca M. Ghiringhelli, Andris Gulans, Oliver T. Hofmann, Karsten W. Jacobsen, Sven Lubeck, Jens Jørgen Mortensen, Mikkel Strange, Elisabeth Wruss and Matthias Scheffler: Numerical quality control for DFT-based materials databases.
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publisher-version
Journal Article
Hoock, Benedikt, Santiago Rigamonti and Claudia Draxl: Advancing descriptor search in materials science: feature engineering and selection strategies.
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publisher-version
Journal Article
Scheffler, Matthias, Martin Aeschlimann, Martin Albrecht, Tristan Bereau, Hans-Joachim Bungartz, Claudia Felser, Mark Greiner, Axel Groß, Christoph T. Koch, Kurt Kremer, Wolfgang E. Nagel, Markus Scheidgen, Christof Wöll and Claudia Draxl: FAIR data enabling new horizons for materials research.
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Journal Article
Teale, Andrew M., Trygve Helgaker, Andreas Savin, Carlo Adamo, Bálint Aradi, Alexei V. Arbuznikov, Paul W. Ayers, Evert Jan Baerends, Vincenzo Barone, Patrizia Calaminici, Eric Cancès, Emily A. Carter, Pratim Kumar Chattaraj, Henry Chermette, Ilaria Ciofini, T.Daniel Crawford, Frank De Proft, John F. Dobson, Claudia Draxl, Thomas Frauenheim, Emmanuel Fromager, Patricio Fuentealba, Laura Gagliardi, Giulia Galli, Jiali Gao, Paul Geerlings, Nikitas Gidopoulos, Peter M.W. Gill, Paola Gori-Giorgi, Andreas Görling, Tim Gould, Stefan Grimme, Oleg Gritsenko, Hans Jørgen Aagaard Jensen, Erin R. Johnson, Robert O. Jones, Martin Kaupp, Andreas M. Köster, Leeor Kronik, Anna I. Krylov, Simen Kvaal, Andre Laestadius, Mel Levy, Mathieu Lewin, Shubin Liu, Pierre-François Loos, Neepa T. Maitra, Frank Neese, John P. Perdew, Katarzyna Pernal, Pascal Pernot, Piotr Piecuch, Elisa Rebolini, Lucia Reining, Pina Romaniello, Adrienn Ruzsinszky, Dennis R. Salahub, Matthias Scheffler, Peter Schwerdtfeger, Viktor N. Staroverov, Jianwei Sun, Erik Tellgren, David J. Tozer, Samuel B. Trickey, Carsten A. Ullrich, Alberto Vela, Giovanni Vignale, Tomasz A. Wesolowski, Xin Xu and Weitao Yang: DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science.
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2021
Journal Article
Schmidt-Mende, Lukas, Vladimir Dyakonov, Selina Olthof, Feray Ünlü, Khan Moritz Trong Lê, Sanjay Mathur, Andrei D. Karabanov, Doru C. Lupascu, Laura M. Herz, Alexander Hinderhofer, Frank Schreiber, Alexey Chernikov, David A. Egger, Oleksandra Shargaieva, Caterina Cocchi, Eva Unger, Michael Saliba, Mahdi Malekshahi Byranvand, Martin Kroll, Frederik Nehm, Karl Leo, Alex Redinger, Julian Höcker, Thomas Kirchartz, Jonathan Warby, Emilio Gutierrez-Partida, Dieter Neher, Martin Stolterfoht, Uli Würfel, Moritz Unmüssig, Jan Herterich, Clemens Baretzky, John Mohanraj, Mukundan Thelakkat, Clément Maheu, Wolfram Jaegermann, Thomas Mayer, Janek Rieger, Thomas Fauster, Daniel Niesner, Fengjiu Yang, Steve Albrecht, Thomas Riedl, Azhar Fakharuddin, Maria Vasilopoulou, Yana Vaynzof, Davide Moia, Joachim Maier, Marius Franckevičius, Vidmantas Gulbinas, Ross A. Kerner, Lianfeng Zhao, Barry P. Rand, Nadja Glück, Thomas Bein, Fabio Matteocci, Luigi Angelo Castriotta, Aldo Di Carlo, Matthias Scheffler and Claudia Draxl: Roadmap on organic–inorganic hybrid perovskite semiconductors and devices.
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2020
Journal Article
Fu, Qiang, Fan Wu, Bingxue Wang, Yuxiang Bu and Claudia Draxl: Spatial Confinement as an Effective Strategy for Improving the Catalytic Selectivity in Acetylene Hydrogenation.
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Journal Article
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2019
Journal Article
Draxl, Claudia: Artificial intelligence in materials science - hype or revolution?
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Draxl, Claudia and Matthias Scheffler: The NOMAD Laboratory: From Data Sharing to Artificial Intelligence.
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2018
Journal Article
Draxl, Claudia and Matthias Scheffler: NOMAD: The FAIR concept for big data-driven materials science.
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Journal Article
Scheffler, Matthias and Claudia Draxl: Ein FAIRes Datenkonzept der von Big Data gesteuerten Materialwissenschaften.
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2017
Journal Article
Troppenz, Maria, Santiago Rigamonti and Claudia Draxl: Predicting Ground-State Configurations and Electronic Properties of the Thermoelectric Clathrates Ba8AlxSi46–x and Sr8AlxSi46–x.
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Book Chapter (2)

2021
Book Chapter
Draxl, Claudia, Markus Scheidgen, Thomas Zastrow, Raphael Ritz, Hermann Lederer, Stefan Heinzel and Matthias Scheffler: The NOMAD Laboratory.
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2020
Book Chapter
Draxl, Claudia and Matthias Scheffler: Big-Data-Driven Materials Science and its FAIR Data Infrastructure.
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pre-print

Talk (98)

2022
Talk
Draxl, Claudia: From Fundamental Physics Research to Novel Materials by Data-Centric Approaches.
(Autumn Meeting 2022, Brazilian Physical Society (EOSBF 22), Sao Paulo, Brazil, Apr 2022).
MPG.PuRe
Talk
Draxl, Claudia: FAIRmat – Making Materials Research Data Findable and AI-Ready.
(20th International Symposium on Nanotechnology (Japan Nano 2022), Online Event, Jan 2022).
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Talk
Draxl, Claudia: Similarity of Materials and Data-Quality Assessment by Unsupervised Learning.
(HEIBRiDS Lecture Series, Online Event, Jan 2022).
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Talk
Draxl, Claudia: Similarities and Pattern Identification in Materials-Sciene Data.
(Spanish network of AI, Online Event, Jan 2022).
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Talk
Draxl, Claudia: Excitations and 2D Quantum Gases in Complex Oxides.
(Seminar, VirtMat, Karlsruhe Institute of Technology (KIT), Online Event, Feb 2022).
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