Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows

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Authors: Martin Uhrin, Sebastiaan P. Huber, Jusong Yu, Nicola Marzari, Giovanni Pizzi

Journal title: Computational Materials Science

Journal number: 187

Journal publisher: Elsevier BV

Published year: 2021

Published pages: 110086

DOI identifier: 10.1016/j.commatsci.2020.110086

ISSN: 0927-0256