A Set of Tutorials for the LAMMPS Simulation Package

This article introduces a suite of tutorials designed to make learning LAMMPS more accessible to new users.

Tutorials

• Tutorial 1: Lennard-Jones fluid
• Tutorial 2: Pulling on a carbon nanotube
• Tutorial 3: Polymer in water
• Tutorial 4: Nanosheared electrolyte
• Tutorial 5: Reactive silicon dioxide
• Tutorial 6: Water adsorption in silica
• Tutorial 7: Free energy calculation
• Tutorial 8: ?

Files

All the files corresponding to the tutorials can be found in the files/ folder. The Python scripts used to generate the plots are also provided.

Link

Access the pdf from this link, or clone this repository and compile the tex file yourself by typing in a terminal:

make

Authors

Project creator

• Simon Gravelle, Univ. Grenoble Alpes, CNRS, LIPhy, 38000 Grenoble, France

Contributors

• Jacob R. Gissinger, Stevens Institute of Technology, Hoboken, NJ 07030, USA
• Axel Kohlmeyer, Institute for Computational Molecular Science, Temple University, Philadelphia, PA 19122, USA

Acknowledgements

• Simon Gravelle acknowledges funding from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 101065060$.
• Axel Kohlmeyer acknowledges financial support by Sandia National Laboratories under POs 2149742 and 2407526.