/moldyn

Python Implementation of Molecular Dynamics using Lennard-Jones Potential

Primary LanguagePythonMIT LicenseMIT

Simulating Realistic Matter Behavior with Molecular Dynamics

Documentation Status Python Package Workflow

This repository demonstrates that realistic matter behavior can be obtained using simple effective models, such as Lennard-Jones potential:

$$ V_{\mathrm{LJ}} = 4 \epsilon \left[ \left(\frac{1}{r}\right)^{12} - \left(\frac{1}{r}\right)^{6} \right]. $$

For instance, the animation below shows how a fluid changes to a solid state as the temperature is decreased. Read the Documentation and see examples.