Research data for "A General Stiffness-Scaling Framework for Accelerating Graph-Theoretical Kinetic Monte Carlo Simulations"

This dataset supports the paper "A General Stiffness-Scaling Framework for Accelerating Graph-Theoretical Kinetic Monte Carlo Simulations" (https://doi.org/10.1021/acs.jctc.5c01394). The following files are provided: Input and output files for the KMC simulations with Zacros Python scripts to generate all the input files Python scripts to read the output files and plot the figures included in the paper