Publications of Claudia Draxl
All genres
Journal Article (10)
1.
Journal Article
C. Draxl, , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , and : DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical Chemistry Chemical Physics 24 (47), 28700–28781 (2022).
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Journal Article
Scheffler, M., , , , , , , , , , , , and C. Draxl: FAIR data enabling new horizons for materials research. Nature 604 (7907), 635–642 (2022).
4.
Journal Article
Aggoune, W., , , , , , , and C. Draxl: A consistent picture of excitations in cubic BaSnO3 revealed by combining theory and experiment. Communications Materials 3, 12 (2022).
5.
Journal Article
M. Scheffler and C. Draxl: Roadmap on organic–inorganic hybrid perovskite semiconductors and devices. APL Materials 9 (10), 109202 (2021).
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Journal Article
C. Draxl: Spatial Confinement as an Effective Strategy for Improving the Catalytic Selectivity in Acetylene Hydrogenation. ACS Applied Materials and Interfaces 12 (35), 39352–39361 (2020).
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Journal Article
Draxl, C. and M. Scheffler: The NOMAD Laboratory: From Data Sharing to Artificial Intelligence. JPhys Materials 2 (3), 036001 (2019).
8.
Journal Article
Draxl, C. and M. Scheffler: NOMAD: The FAIR concept for big data-driven materials science. MRS Bulletin 43 (9), 676–682 (2018).
9.
Journal Article
Scheffler, M. and C. Draxl: Ein FAIRes Datenkonzept der von Big Data gesteuerten Materialwissenschaften. Jahrbuch / Max-Planck-Gesellschaft 12090594 (2018).
10.
Journal Article
C. Draxl: Predicting Ground-State Configurations and Electronic Properties of the Thermoelectric Clathrates Ba8AlxSi46–x and Sr8AlxSi46–x. Chemistry of Materials 29 (6), 2414–2424 (2017).
, and Book Chapter (2)
11.
Book Chapter
Draxl, C., M. Scheidgen, , , , and M. Scheffler: The NOMAD Laboratory. In: High-Performance Computing and Data Science in the Max Planck Society. Max Planck Computing and Data Facility, Garching, 50–51 (2021).
12.
Book Chapter
Draxl, C. and M. Scheffler: Big-Data-Driven Materials Science and its FAIR Data Infrastructure. In: Handbook of Materials Modeling. (Eds.): and . Springer, Cham, 49–73 (2020).
Talk (116)
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