Publications

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