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

The ever-growing availability of computing power and the sustained development of advanced computational methods have contributed much to recent scientific progress. These developments present new challenges driven by the sheer amount of calculations and data to manage. Next-generation exascale supe...

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Detalles Bibliográficos
Autores principales: Huber, Sebastiaan P., Zoupanos, Spyros, Uhrin, Martin, Talirz, Leopold, Kahle, Leonid, Häuselmann, Rico, Gresch, Dominik, Müller, Tiziano, Yakutovich, Aliaksandr V., Andersen, Casper W., Ramirez, Francisco F., Adorf, Carl S., Gargiulo, Fernando, Kumbhar, Snehal, Passaro, Elsa, Johnston, Conrad, Merkys, Andrius, Cepellotti, Andrea, Mounet, Nicolas, Marzari, Nicola, Kozinsky, Boris, Pizzi, Giovanni
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7479590/
https://www.ncbi.nlm.nih.gov/pubmed/32901044
http://dx.doi.org/10.1038/s41597-020-00638-4

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7479590/
https://www.ncbi.nlm.nih.gov/pubmed/32901044
http://dx.doi.org/10.1038/s41597-020-00638-4

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