simongravelle/lammps-input-files

LAMMPS inputs and data files

LAMMPS input files

This folder contains input files for the LAMMPS molecular simulation code. If you are new to LAMMPS, you can find tutorials for beginners on lammpstutorials.github.io. For most folders, there is a corresponding video on youtube.

Overview

List of inputs

• 2D Lennard-Jones fluids
• 3D Lennard-Jones fluids
• Generation of amorphous carbon structure using the liquid quench method
• Silicalite SiO2 MFI structure
• Melting a cube of gold metal
• Reactivity of ion hydronium
• Graphene oxide nanoparticle in interaction with water
• NaCl ions in water
• NaCl crystal dissolution in water
• Solid NaCl under compression
• Adsorption combined with diffusion create pink noise in nanopore
• Water-ethanol-Na-Cl mixture
• Simulating an oil-water-vapor interface
• Measure the surface tension of water
• Liquid mixture of PEG, water, and ethanol
• Water-co2 mixture in graphene slit
• Water in graphene slit

Find more input

Many more inputs are stored in:

• the repository of LAMMPS tutorials,
• my publication-data repository,
• the example folder of LAMMPS.

Contact

Feel free to contact me by email if you have questions or requests.

Acknowledgments

This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 101065060.

lammps-input-files's Issues

Coarse grain polymer chain molecular dynamic simulation using lammps?

How to write an input script and data file for single chain polycarbonate in lammps for coarse grained polymer MD simulation?