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Complex workflows in modern computational science using AiiDA and HELIPORT
- Source :
- IT4Science-Days 2023, 26.-28.09.2023, Berlin, Deutschland
- Publication Year :
- 2023
-
Abstract
- AiiDA is an open-source Python infrastructure for devising complex workflows associated with modern computational science and streamlining the four core pillars of the ADES model: Automation, Data, Environment, and Sharing. In this contribution, we showcase features of AiiDA like workflow-forging, high-throughput capability and data provenance as implemented in the AiiDA-FLEUR plugin. Finally, we address the possibility of managing AiiDA-projects through HELIPORT.
Details
- Database :
- OAIster
- Journal :
- IT4Science-Days 2023, 26.-28.09.2023, Berlin, Deutschland
- Notes :
- English
- Publication Type :
- Electronic Resource
- Accession number :
- edsoai.on1415600940
- Document Type :
- Electronic Resource