Short bio

I am a computer physicist in soft matter and fluids at interfaces, currently at the ICP in Stuttgart (Germany), very soon at the LIPhy in Grenoble (France). See my previous research positions here.

I do a lot of molecular dynamics simulations of soft matter systems with LAMMPS and GROMACS, and I participate to the developpement of MAICoS, a Python toolkit for analysing atom trajectories.

Open source initiatives

LAMMPS tutorials - courses for LAMMPS beginners: molecular dynamics, Monte Carlo simulations and free energy methods.

GROMACS tutorials - courses for GROMACS beginners: molecular dynamics and free energy methods.

Github repository - molecular dynamics inputs files (LAMMPS & GROMACS), as well Python & Octave scripts for preparing and analyzing molecular dynamics simulations.

DaRUS repository - molecular dynamics inputs files and large trajectory files.

MAICoS analysis - Object-oriented Python toolkit for analysing the structure and dynamics of interfacial and confined fluids from molecular simulations.

NMRforMD - Python script to calculate NMR relaxation times from molecular dynamics trajectory files.

Publications

Selected publications Click here for the full list of publications