Colloquium: Claudia Draxl: Predicting properties of complex materials: challenges for modern ab initio theory

Prof. Dr. Claudia Draxl, Physics Department of the Humboldt-University of Berlin, solid-state theory group

Curriculum vitae: 

Claudia Draxl is Einstein Professor at the Humboldt-Universität zu Berlin, Germany and Max-Planck Fellow at the Max Planck Graduate Center for Quantum Materials. Her research interests cover theorectical concepts and methodology to get insight into a variety of materials and their properties. She is developer of the all-electron full-potential package exciting, implementing density-functional theory (DFT) and methods beyond, with a focus on excitations. A recently devloped package is the cluster-expansion code CELL. Actual research projects concern organic/inorganic hybrid structures, wide-gap oxides, thermoelectricity, solar-cell materials, film growth, and more. She is one of the founders of the Novel Materials Discovery (NOMAD) Repository, an open-access library of materials, and the non-profit association FAIR-DI (FAIR Data Infrastructure for Physics, Chemistry, Materials Science, and Astronomy). Based on this, her data-driven research aims at finding structure in Big Data of materials science.

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