Principles of sustainable scientific software

Seminars

Laboratory of Information Technologies

Seminar of the Scientific Department of Computational Physics

Date and Time: Thursday, 5 February 2026, at 3:00 PM

Venue: room 310, Meshcheryakov Laboratory of Information Technologies, online on Webinar

Seminar topic: “Principles of sustainable scientific software: lessons from developing a data processing program for small-angle neutron scattering”

Speaker: Alexey Soloviev

Authors: Alexey Soloviev, Tatiana Solovjeva, Oleksandr Ivankov, Akhmed Islamov, Alexander Kuklin

Abstract:

The SAS program is the primary data processing tool for the YuMO Small-Angle Neutron Scattering Spectrometer. This work presents a retrospective analysis of its two-decade evolution, from a Fortran prototype to a modern software system. The analysis focuses on the architectural decisions that have ensured the program’s long-term viability and its ability to adapt to instrument upgrades. The core solution was a modular architecture that abstracts the detector system. This enabled the seamless integration of data from two scattering detectors and, later, from a position-sensitive detector. A strict processing pipeline and a unified internal data representation formed the basis for physically grounded algorithms, including weighted merging of spectra, resolution-aware smoothing, and built-in statistical quality control. The program’s interfaces – a command line for batch processing and a graphical user interface for interactive work – are built upon a single computational core, ensuring result consistency and flexibility in use. Long-term operation has confirmed that the underlying architectural principles naturally align with the key characteristics of international software quality standards, particularly those critical for long-term sustainability. Therefore, the development and evolution of SAS demonstrates a universal set of architectural principles that can serve as a foundation for building sustainable scientific software in related fields of experimental physics.