P‐213: Multiscale Simulation and Optimization of OLED Devices with Quantum Chemistry and Kinetic Monte Carlo Simulations

The development of efficient and durable Organic Light‐Emitting Diodes (OLEDs) necessitates a comprehensive understanding of processes spanning multiple scales, from molecular interactions to device‐level performance. This presentation introduces an integrated multiscale simulation approach utilizing the Amsterdam Modeling Suite and Bumblebee to model, simulate, and optimize OLED devices. By combining quantum mechanical calculations with 3D kinetic Monte Carlo simulations, this methodology provides insights into charge transport, exciton dynamics, device degradation, and optical outcoupling, facilitating the design of high‐performance OLEDs.