Simon Gravelle
Videos of molecular simulations, mostly done with LAMMPS and GROMACS. All scripts can be found on my Github.
See my LAMMPS tutorial website: https://lammpstutorials.github.io/
GROMACS tutorial for beginners | Ionic solution
GROMACS tutorials for absolute beginners: water, Na, and SO4 ions
Water molecules in a polymer
LAMMPS tutorials | Nanosheared electrolyte | System preparation
LAMMPS tutorials | Polymer in water | Stretching the PEG molecule
LAMMPS tutorials | Polymer in water | The PEG molecule (in vacuum)
LAMMPS tutorials | Exercise | Insert gas in the carbon nanotube
LAMMPS tutorials | VMD tutorial | Practical example
LAMMPS tutorials | Pulling on a carbon nanotube | Breakable bonds
LAMMPS tutorials | Pulling on a carbon nanotube | Unbreakable bonds
LAMMPS tutorials | Lennard-Jones fluid | My first input
LAMMPS tutorials | Exercise | From atoms to molecules: Dumbbell
LAMMPS tutorials | Exercise | From atoms to molecules: Polymer
Graphene deforms like a blanket - molecular art with script
Fullerene filled with water colliding with empty fullerene - molecular art with script
Kekulene molecule: 12 benzene rings arranged in a circle - molecular art with script
Water molecules trapped in a C60 fullerene - molecular art with script
Simple molecular dynamics with LAMMPS and visualization with VMD - molecular art with script
LAMMPS tutorial : Reactive silicon dioxide | reaxff
Polymer in water - simple mixture | LAMMPS input script
How-to LAMMPS : Pulling a polymer in water
The very basics of GROMACS through a simple tutorial: a bulk solution of SO42- and Na+
LAMMPS tutorial (Exercice 2): Electrolyte confined between thermalised walls
Molecular dynamics : twisted bilayer graphene returns to equilibrium
Molecular dynamics simulation of osmosis through a porous membrane
Pouring granular using LAMMPS
LAMMPS Tutorials animated logo
NMRforMD - a new Python library for measuring NMR relaxation times from simulations
PEGgenerator script for GROMACS and LAMMPS | Create all-atom polymer chain using Python
Interaction between a molecule and a crystal | molecular dynamics simulation with script