AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance.
Huber SP, Zoupanos S, Uhrin M, Talirz L, Kahle L, Häuselmann R, Gresch D, Müller T, Yakutovich AV, Andersen CW, Ramirez FF, Adorf CS, Gargiulo F, Kumbhar S, Passaro E, Johnston C, Merkys A, Cepellotti A, Mounet N, Marzari N, Kozinsky B, Pizzi G.
Huber SP, et al. Among authors: mounet n.
Sci Data. 2020 Sep 8;7(1):300. doi: 10.1038/s41597-020-00638-4.
Sci Data. 2020.
PMID: 32901044
Free PMC article.