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DY: Fachverband Dynamik und Statistische Physik
DY 38: Focus Session: Innovations in Research Software Engineering (joint session BP/DY)
DY 38.2: Vortrag
Donnerstag, 20. März 2025, 15:30–15:45, H44
Python-based interface to micromagnetic simulation software: Ubermag — •Hans Fangohr1,2,3, Martin Lang1,2, Samuel J.R. Holt1,2, Swapneel Amit Pathak1,2, Kauser Zulfiqar1,2,4, and Marijan Beg5 — 1MPSD, Hamburg, Germany — 2CFEL, Hamburg, Germany — 3Univ. Southampton, UK — 4Univ. Hamburg, Germany — 5Imperial College London, UK
We describe the Python-based user environment "Ubermag" to help scientists use well-established (micromagnetic) simulation packages.
Within Ubermag [1], researchers can express the physics problem they want to simulate in a scientist-friendly but machine readable problem definition based on Python syntax [2]. Ubermag translates this problem into the configuration files needed for micromagnetic simulation packages such as OOMMF or mumax3. On completion of the simulation, the computed data is presented back to the user at the Python level. Ubermag is often used in Jupyter Notebooks, and supports rich media to provide figures and equations within the notebook.
We report on the motivation for Ubermag, the design and implementation process, and our experiences made both from the perspective of science users and from the research software engineers. We touch on a range of topics, including interface design, domain specific languages, testing, packaging, Jupyter, and reproducibility.
This work was supported by EPSRC UK Skyrmion Grant EP/N032128/1, and the European research projects OpenDreamKit (676541) and MaMMoS (101135546).
[1] DOI 10.1109/tmag.2021.3078896; [2] DOI 10.1063/1.4977225
Keywords: micromagetism; Research Software Engineering; Python; Jupyter; Workflow