Dresden 2020 – scientific programme

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AKjDPG: Arbeitskreis junge DPG

AKjDPG 3: Envisioning Future Research Data Management (NFDI) from different Perspectives

AKjDPG 3.4: Invited Talk

Tuesday, March 17, 2020, 14:45–15:00, HSZ 03

FAIR-DI: FAIR Data Infrastructure for Physics, Chemistry, Materials Science, and Astronomy — Hans Bungartz, Claudia Draxl, Mark Greiner, •Matthias Scheffler, and Christof Wöll — representing FAIR-DI e.V., c/o IRIS Adlershof, 12489 Berlin

Scientific data are a significant raw material of the 21st century. To exploit its value, a FAIR data infrastructure (DI) is a must. For the fields of computational and experimental materials science, chemistry, and astronomy, FAIR-DI e.V. sets out to make this happen. It enables extensive data sharing and collaborations and advances basic science and engineering, reaching out to industry and society. FAIR-DI (https://fairdi.eu), a "gemeinnütziger e.V." (since 2018), is an extension of the NOMAD Center of Excellence. NOMAD had established a FAIR DI for the complex field of computational materials science since 2014. It is now serving more than 40 very different, high-scale computer codes and presently offers all the details of more than 90 million extensive calculations (billions of CPU hours at high-performance computer centers, worldwide). Thus, for computational materials science, extensive experience exists, but for experimental research and the combination of both data sources, the challenges are still significant.

Clearly, all this should support and not hamper the scientific work; thus, data should be accepted in the form they are created, and parsers, converters, and other tools will be provided by FAIR-DI. This talk focuses on FAIRmat, the materials-science component of FAIR-DI, and a proposed consortium for the NFDI. It will also provide an outlook to the exploitation of materials data using artificial intelligence.