Folders and files
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This is the repository of the LAMMPS Tutorials 2.0 webpage. All input scripts and data files can be found in the inputs folder.
The previous version (1.0) of LAMMPS tutorial is still visible here.
- Lennard Jones binary fluid - simple molecular dynamics simulation
- Polymer in water - constant force applied to the 2 ends of the polymer (polyethylene glycol)
- Nanosheared electrolyte - electrolyte sheared by two walls and velocity profile measurement
- Graphene under deformation - longitudinal deformation of a small graphene sheet
- Breaking a carbon nanotube - carbon nanotube under extreme deformation with reactive force field
- Water adsorption in silica - adsorption of water in a silica crack using the grand canonical Monte Carlo method
- Simple free energy calculation - simple sampling of a free energy barrier using WHAM
- Adsorption of ethanol - free energy profile of ethanol near a solid surface
- Deforming silicon dioxide - using reaxff and deform a structure
You can report issue here on Github, or send me an email. Your feedback is always highly appreciated.
I am a computer physicist in soft matter and fluids at interfaces. You can find more information on my personal webpage.
All the inputs, scripts, and data files are released under the GNU general public license v3.0.