2025 Spring Meeting

The COMPUTE spring meeting 2025 will take place on Monday the 28th of April 2025. The theme is "Development of Scientific Software". The event is aimed at

all who write code to do their research and want to become better at it
all who use code to do their research and want to learn more about where this code comes from and how it might be improved.

Program

9:15 - 10:15	Fika before lecture room MH:Riesz
10:15 - 10:30	Introduction
10:30 - 11:45	Lightning talks by PhD students about software they develop and how
11:45 - 12:00	Introduction to LUNARC and NAISS
12:00 - 13:00	Lunch
13:00 - 15:00	Parallel Workshops:
	1) Parallel Debugging and Profiling
	2) Writing efficient Python Code
	3) Thread assessment regarding scientific software
15:00 - 16:00	Fika and Hack Hour

Workshop 1: Parallel Debugging and Profiling

Joachim Hein (Centre for Mathematical Sciences, LUNARC, NAISS)

Abstract: This workshop will demonstrate parallel debuggers and parallel profilers available on LUNARC and NAISS systems.

Workshop 2: Writing efficient Python Code

Jonas Lindemann (LUNARC, NAISS)

Abstract: still to come

Workshop 3: Thread assessment regarding scientific software

Philipp Birken (Centre for Mathematical Sciences)

Abstract: still to come

Lightning talks

PhD students will discuss the software development work associated with their PhD project.

Aliaksandr Dvornik (Medical Physics): Advanced PyMC-Based Application for Lost Radioactive Sources Localization

This talk covers the ongoing development of a scalable modeling and data processing pipeline in Python. We demonstrate how Python frameworks, particularly FastAPI and PyMC, can work together to produce generic data and perform simulation tasks. Our goal is to build an effective application that is parallelized using the multiprocessing library.

Mynta Norberg (Analysis and Synthesis): Lignonaut - A cheminformatic toolkit written in R for the virtual combinatorial synthesis and exploration of lignin oligomers

Lignin is the second most abundant natural polymer. Analytical chemists use advanced equipment to study the complex structure of lignins, but this produces data that is hard to interpret. Lignonaut is a cheminformatic tool that supports this endeavour, and it was written in R due to its popularity in omics and cheminformatics. Algorithms for combinatorial synthesis, duplicate identification, and dictionary-based translation will be discussed, alongside quirks of using R for scientific programming, and approaches for optimisation.

Registration

Please use the registration page to register

Compute