RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based on MATLAB language, including formatting the reactive force field parameters, statistic anasysis of structures, trajectories and mechanisms and output of the visualization files.

The injection-diffusion model to coarse-grained simulate bacterial flagellation process.

Contains the model used for impact simulations in the article Dewapriya and Miller, Comput. Mater. Sci., Vol. 195, 110504 (2021).

a small framework for simulating molecular dynamics in MATLAB, developed for my master thesis

exploration of MD simulations in MATLAB using the Verlet integrator