Software


I am a FOSS-only computational physicist. A key part of my work is developing flexible simulation codes and analysis tools, which I use to explore physical phenomena.

Below is a short list of codes of mine, all actively maintained and hosted on framagit, plus some packages I contribute to.

Atooms

Atooms is a Python framework for simulations of interacting particles. It is composed by a base library and by several feature packages that implement complex simulation methods and analysis tools. Check out the documentation for an overview.

atooms
A framework for simulations of interacting particles

postprocessing
Post-processing tools for particle simulations

landscape
Energy landscape analysis tools built with atooms

dynamics
Newtonian and stochastic dynamics backends for atooms

parallel_tempering
Multi-CPU / multi-GPU parallel tempering

Reproducible research

My packages to manage workflows, datasets and computer models in a reproducible way

pantarei
A simple and general-purpose workflow manager - because everything flows

berni
Database of interaction models and trajectory samples for classical molecular simulations

Tools

Tools ranging from jit compilation to small scripts I used in my daily DevOps

Templates

Useful to quickly start new projects

Third-party