Claudia Draxl

Professor @ Institute for Theoretical Solid State Physics at Humboldt-Universität Berlin, Chair of hte "Solid-State Theory" research group

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 covers theoretical concepts and methodology of ab initio computational materials science. She is developer of the all-electron full-potential package exciting, implementing density-functional theory and methods beyond, with a focus on theoretical spectroscopy. Actual research projects concern organic/inorganic hybrid structures, wide-gap oxides, thermoelectricity, solar-cell materials, film growth, and more. She is a founder of the NOMAD Laboratory (https://nomad-lab.eu) and the association FAIR-DI (https://fair-di.eu). Based on this open-access data infrastructure, her data-driven research aims at finding structure in Big Data of materials science.

Contribution:

Title:

FAIR Data and Artificial Intelligence towards New Horizons in Materials Research

Abstract:

Research data paired with Artificial Intelligence (AI) enable of a new level, a new quality of science. The ultimate goal in our research domain is to predict novel candidate materials for a given application, possibly even in regions of the materials space that no-one would think of. A real breakthrough is, however, only possible if a few key prerequisites are brought together: Big Data – the relevant data – reliable data – novel AI tools with predictive power, all combined in a FAIR data sharing platform. In 2014, the Novel Materials Discovery (NOMAD) Laboratory set out to make this happen for computational materials science. For reaching the ultimate goal, data from synthesis, experiment, and theory must be brought together. I’ll review where we are on this road.

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