9. Annual MT Meeting

Complex workflows in modern computational science using AiiDA and HELIPORT

Not scheduled

2h 30m

Gaede Lecture Hall (Bldg 30.22) (Karlsruhe Institute of Technology (KIT))

Poster without speed talk Data Management and Analysis Poster session

Speaker

Lokamani Lokamani (HZDR)

Description

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.