Publications

DATENPOLITIK, OPEN SCIENCE UND DATENINFRASTRUKTUREN: AKTUELLE ENTWICKLUNGEN IM EUROPÄISCHEN RAUM. In Rat für Informationsinfrastrukturen (RfII) (Eds.), 2022. [PUMA: dataSpaces eosc europa forschungsdaten gaiaX hpc-computing politik]

Björn Schembera. Like a rainbow in the dark: metadata annotation for HPC applications in the age of dark data. In Hamid Arabnia (Eds.), The Journal of Supercomputing, 2021. [PUMA: automated forschungsdaten hpc-computing metadata tools] URL

Martin Thomas Horsch, Christoph Niethammer, Gianluca Boccardo, Paola Carbone, Silvia Chiacchiera, Mara Chiricotto, Joshua D. Elliott, Vladimir Lobaskin, Philipp Neumann, Peter Schiffels, Michael A. Seaton, Ilian T. Todorov, Jadran Vrabec, and Welchy Leite Cavalcanti. Semantic Interoperability and Characterization of Data Provenance in Computational Molecular Engineering. Journal of Chemical & Engineering Data, (65)3:1313--1329, American Chemical Society (ACS), December 2019. [PUMA: forschungsdaten hpc-computing metadata molecularSimulation ontologie] URL

Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, and Boris Kozinsky. AiiDA: automated interactive infrastructure and database for computational science. Computational Materials Science, (111):218 - 230, 2016. [PUMA: forschungsdaten framework hpc-computing metadata repository software softwareLizenzMotivation reproducibility] URL