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.

How to cite

You can refer to the inputs in this directory using this DOI: 10.5281/zenodo.13340908.

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 LAMMPS inputs

More input files are shared in the:

• Inputs repository of lammpstutorials.github.io,
• Files repository of the lammpstutorials' article,
• Repository associated with my publications,
• 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.