CodeRefinery
We teach all the essential tools which are usually skipped in academic education so everyone can make full use of software, computing, and data with focus on reusability, reproducibility, and openness.
I am a theoretical chemist turned research software engineer.
I write research software and teach programming to researchers and lead the CodeRefinery project and am involved in building the community of Nordic research software engineers.
I work at the UiT The Arctic University of Norway as part of the Norwegian e-infrastructure for research and education and lead the High Performance Computing Group and the Research Software Engineering Group at UiT.
Earlier, I have worked at the Laboratoire de Chimie et Physique Quantiques in Toulouse, and PDC and Theoretical Chemistry and Biology in Stockholm.
We teach all the essential tools which are usually skipped in academic education so everyone can make full use of software, computing, and data with focus on reusability, reproducibility, and openness.
We want to help all researchers and students at UiT to develop and improve their research software. This can span from simple R or Python scripts to complex GPU enabled software packages.
Co-building the community of Nordic research software engineers, and networking with fantastic people.
Numgrid is a library that produces numerical integration grid for molecules based on atom coordinates, atom types, and basis set information. This library provides Rust and Python bindings.
Small things I learned recently: https://github.com/bast/til