Programming simulations is a large part of my research work, and I believe developing and maintaining codes for high performance computations and long-term reproducibility is incredibly important, both for environmental reasons and for the sustainability of the research. Software should be treated as any other kind of scientific output. To ensure reproducibility and adoption, I think the only way to distribute scientific software is under an open-source, preferably copy-left, code license.
Below are open-source codes for which I am the lead developer or an active developer.
Tamaas
Tamaas is an open-source library for contact mechanics of rough surfaces. It implements several high-performance contact routines in C++ and makes them available in Python, with a tight integration to Numpy arrays.
UVW
UVW (Universal VTK Writer) is a small open-source Python package I developed in my free time to help with writing VTK formatted files without requiring VTK as a dependency.
Akantu
Akantu is a C++ finite-elements high-performance open source library developed by the LSMS laboratory at EPFL.
Matscipy
Matscipy is a Python framework for material science, atomistic calculations, developped in part by Prof. Pastewka’s group at the University of Freiburg, that is built on top of the Atomic Simulation Environment.
Minor contributions
I’ve also made minor contributions (mostly bugfixes and minor updates) to various codes:
