Fitness scores of optimized parameters can be seen as proxies, but the quality of the resulting force field parameter sets ultimately need to be validated through actual MD simulations and comparisons against experimental and/or QM data. These results show that the newly trained force fields are on par with those from the literature , while their training is 1-3 orders of magnitude faster. . A relatively short time step of 0.5 fs was used in all the simulations. This is the recommended setting for ReaxFF simulations of systems that don't include light atoms like Hydrogen. All NVT ensemble (constant number of atoms, volume and temperature) simulations were performed using Nose-Hoover thermostat to control the temperature with a temperature damping parameter of 100 fs which determines how rapidly the temperature is relaxed. All NPT ensemble (constant number of atoms, pressure and temperature) simulations were performed using Nose-Hoover thermostat to control the temperature with a temperature damping parameter of 100 fs and Nose-Hoover barostat to control the pressure with a temperature damping parameter of 1000 fs.