![](/simongravelle/simongravelle/raw/main/png/cnrs-logo-blanc.png)
Computer physicist in soft matter and fluids at interfaces in LIPhy, UGA, CNRS
- Molecular dynamics inputs for LAMMPS and GROMACS
- Scripts for preparing and analyzing molecular dynamics simulations
- Data from my recent publications
![](https://raw.githubusercontent.com/lammpstutorials/lammpstutorials.github.io/2Aug2023/docs/avatars/level3/water-adsorption-in-silica/water-adsorption.png)
- LAMMPS tutorials π LAMMPS step-by-step guides for absolute beginners
- GROMACS tutorials π GROMACS step-by-step guides for absolute beginners
- NMRforMD π Python script for the calculation of H-NMR relaxation time
- MDcourse π Learn molecular simulations using Python (under construction)
Videos of molecular simulations, mostly done with LAMMPS and GROMACS π