The optimization was carried out in two stages for greater precision. In the first stage, the DIRECT-L algorithm was applied to find the global minimum of the loss function. This initial search was performed within a microscopic system volume of 3•10 -16 , which represented a balance between computational speed and the accuracy of the simulation. At this scale, the algorithm efficiently explored the broader parameter space, locating promising regions where the loss function was minimized. In a second stage, a local optimization was performed using the COBYLA (Constrained Optimization BY Linear Approximations) algorithm. This phase was conducted at a larger microscopic system volume of 5•10 -16 , allowing for finer adjustments and more accurate determination of the kinetic parameters. The combination of the DIRECT-L global search with the local refinement capabilities of COBYLA enabled a precise determination of the kinetic parameters, providing results within 16 to 20 hours. This two-step optimization approach not only improved the accuracy of the kinetic parameter estimation but also maintained computational efficiency, making it suitable for complex polymerization modeling.