About me

I am a CNRS researcher at LIPhy in Grenoble, France. I use molecular simulations to study fluids at interfaces and soft matter systems.

Open source and open data

I share all the codes developed as part of my research as open source, see for instance:

• my Github repository containing molecular simulation scripts and data,
• NMRforMD, a Python script for calculating hydrogen NMR relaxation rates from molecular dynamics simulations,

In parallel to my open-source projects, I have been involved in the development of MAICoS, a Python toolkit for analyzing confined molecular simulations.

Outreach

In parallel to my research activities, I am developing several outreach projects, including:

• the LAMMPS tutorials webpage and its associated repositories,
• MDCourse: Learn Molecular Simulations with Python,
• the GROMACS tutorials page,
• a gallery of animations and molecular art.