We utilize kinetic Monte Carlo (KMC) to simulate the optical response of lanthanidedoped nanoparticles. We use the high-performance C++ implementation, as implemented in the RNMC software package. Input generation is handled by NanoParticleTools. We utilize Jobflow and FireWorks to build a workflow for high-throughput kMC simulations, enabling the generation of datasets for machine Error (MSE) of the validation set is monitored and the learning rate is reduced on plateau, with a patience of 50 epochs. Early stopping is triggered when the validation MSE has not decreased for 200 epochs. Model performance is reported using the MSE and NMSE, as shown in Equations 3-4 below: