Nearest Image for Particle Simulations and Molecular Dynamics in MATLAB

Nearest Image for Particle Simulations and Molecular Dynamics in MATLAB

Often when working on particle simulations and Molecular Dynamics you need to find the nearest image of a particle when working with Periodic Boundary Conditions. After working out several implementations in MATLAB, I have come to favor the approach I show here. I will a simple approach with a few assumptions that makes the implementation easier but it can easily be extended. This works great for diffusion or random walk simulations or for your molecular dynamics code and for on lattice or off lattice simulations.

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Source Code Walkthrough for Simulating On-Lattice Diffusion in MATLAB with No Particle Overlap

Source Code Walkthrough for Simulating On-Lattice Diffusion in MATLAB with No Particle Overlap

Earlier this year I wrote up a simulation for on-lattice diffusion in MATLAB. Since then, several people have asked me about my implementation. It is very hard to pick up someone else's code, so in this post I will walk through the details of the code line-by-line with some examples of how each section works. I will focus on 2D, but the code could easily be extended to 3D.

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