The NOMAD laboratory: from data sharing to artificial intelligence

TheNovelMaterials Discovery (NOMAD) Laboratory is a user-driven platform for sharing and exploiting computationalmaterials science data. It accounts for the various aspects of data being a crucial rawmaterial andmost relevant to acceleratematerials research and engineering. NOMAD, with theNOMADRepository, and its code-independent and normalized form, theNOMADArchive, comprises theworldwide largest data collection of thisfield. Based on itsfindable accessible, interoperable, reusable data infrastructure, various services are offered, comprising advanced visualization, theNOMADEncyclopedia, and artificial-intelligence tools. The latter are realized in the NOMADAnalytics Toolkit. Prerequisite for all this is theNOMADmetadata, a unique and thorough description of the data, that are produced by all important computer codes of the community. Uploaded data are tagged by a persistent identifier, and users can also request a digital object identifier tomake data citable. Developments and advancements of parsers andmetadata are organized jointly with users and code developers. In this work, we review theNOMADconcept and implementation, highlight its orthogonality to and synergistic interplaywith other data collections, and provide an outlook regarding ongoing and future developments.