Scientific Data, Vol 7, Iss 1, Pp 1-18 (2020) Scientific Data Huber, S P, Zoupanos, S, Uhrin, M, Talirz, L, Kahle, L, Häuselmann, R, Gresch, D, Müller, T, Yakutovich, A V, Andersen, C W, Ramirez, F F, Adorf, C S, Gargiulo, F, Kumbhar, S, Passaro, E, Johnston, C, Merkys, A, Cepellotti, A, Mounet, N, Marzari, N, Kozinsky, B & Pizzi, G 2020, ' AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance ', Scientific Data . https://doi.org/10.1038/s41597-020-00638-4 Scientific data, London : Nature Publishing Groups, 2020, vol. 7, art. no. 300, p. [1-18]