AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance

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Authors: Sebastiaan P. Huber, Spyros Zoupanos, Martin Uhrin, Leopold Talirz, Leonid Kahle, Rico Häuselmann, Dominik Gresch, Tiziano Müller, Aliaksandr V. Yakutovich, Casper W. Andersen, Francisco F. Ramirez, Carl S. Adorf, Fernando Gargiulo, Snehal Kumbhar, Elsa Passaro, Conrad Johnston, Andrius Merkys, Andrea Cepellotti, Nicolas Mounet, Nicola Marzari, Boris Kozinsky, Giovanni Pizzi

Journal title: Scientific Data

Journal number: 7/1

Journal publisher: Springer Nature

Published year: 2020

DOI identifier: 10.1038/s41597-020-00638-4

ISSN: 2052-4463