Dresden 2017 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 51: Topical session: Data driven materials design - databases

MM 51.1: Vortrag

Mittwoch, 22. März 2017, 17:15–17:30, BAR 205

The NOMAD (Novel Materials Discovery) Laboratory: Concepts, Challenges, and Results [] — •Pasquale Pavone1, Georg Huhs1,3, Luca Ghiringhelli2, Claudia Draxl1,2, and Matthias Scheffler21Humboldt-Universität zu Berlin, Physics Department and IRIS Adlershof, Germany — 2Fritz-Haber-Institut der MPG, Berlin, Germany — 3Barcelona Supercomputing Center, Spain

The NOMAD (Novel Materials Discovery) Laboratory Center of Excellence (CoE), https://NOMAD-CoE.eu, is a community-driven activity with the mission to serve the whole field of materials science and engineering. It tackles the issues of Big Data in materials science, starting from the NoMaD Repository [1], which by now contains results from more than 18 million DFT total-energy calculations. This corresponds to several billion CPU-core hours spent on high-performance computers worldwide. With these and more and more incoming data, we build a Materials Encyclopedia, to provide a user-friendly access to all these results, also making use of Advanced Graphics. Novel Big-Data Analytics tools are developed for finding trends, identifying outliers, and predicting new materials with tailored properties. Thus, this talk describes the basic concepts and goals of the NOMAD CoE in order to stimulate a discussion and suggestions on how to proceed further. This work received funding from “The Novel Materials Discovery (NOMAD) Laboratory”, a European Center of Excellence.
[⋆] Collaboration with the entire NOMAD team: https://nomad-coe.eu
[1] https://NOMAD-Repository.eu

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