Concepts, Challenges, and Results of the NOMAD (Novel Materials Discovery) Laboratory
Dr. Pasquale Pavone*
Thursday, July 13
13:00 – 14:00
Seminar Room 115, Hallwachsstr. 3 (HAL)
Abstract:
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