Anders Kaestner

Aliaksandr V. Yakutovich, Daniel Hollas, Edan Bainglass et al.

With ever-increasing computational capabilities, robust and automated research workflows have become essential for orchestrating large numbers of interdependent simulations. However, significant technical expertise is still required to configure execution environments, define calculation inputs, interpret outputs, and manage the complexity of parallel code execution on remote machines. To address these challenges, we developed AiiDAlab, a Jupyter-based web platform powered by the AiiDA computational infrastructure that provides a framework for managing and automating computational workflows while ensuring reproducibility through full provenance tracking. Through a collection of open-source user-friendly applications, AiiDAlab enables scientists to set up, execute, and analyze complex computational workflows without interacting directly with the underlying technical details, allowing them to focus on their research questions. In this paper, we discuss how AiiDAlab has matured over the past few years, expanding beyond computational materials science and its AiiDA origins. We present recent developments towards integrating with electronic laboratory notebooks (ELNs) for FAIR-compliant data management, adoption in large-scale facilities for secure access to experimental data and analytical tools, and applications in educational settings. Together with community-driven efforts to simplify onboarding, improve access to computational resources, and support large-scale data workflows, these advancements position AiiDAlab as a powerful platform for accelerating scientific discovery and fostering collaboration across disciplines.

Mihails Birjukovs, Pavel Trtik, Anders Kaestner et al.

We demonstrate a new image processing methodology for resolving gas bubbles travelling through liquid metal from dynamic neutron radiography images with intrinsically low signal-to-noise ratio. Image pre-processing, denoising and bubble segmentation are described in detail, with practical recommendations. Experimental validation is presented - stationary and moving reference bodies with neutron-transparent cavities are radiographed with imaging conditions similar to the cases with bubbles in liquid metal. The new methods are applied to our experimental data from previous and recent imaging campaigns, and the performance of the methods proposed in this paper is compared against our previously developed methods. Significant improvements are observed as well as the capacity to reliably extract physically meaningful information from measurements performed under highly adverse imaging conditions. The showcased image processing solution and separate elements thereof are readily extendable beyond the present application, and have been made open-source.