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"AiiDA 1.0, a scalable computational infrastructure for automated ..."
Sebastiaan P. Huber et al. (2020)
- 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:
AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance. CoRR abs/2003.12476 (2020)
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