OLED device modeling

Bumblebee tracks carriers, excitons, molecular emission, and degradation processes over time, helping researchers understand efficiency, lifetime, defects, interfaces, and loss mechanisms in OLED stacks.

Starting with AMS2026, Bumblebee is integrated into AMS with BBinput and BBresults for graphical setup, local and remote simulations, and output analysis.

OLED device modeling far beyond the 1D drift-diffusion model:

• Account for nanostructures in the stack, including filamentary transport, bulk heterojunctions, dye-sensitizer interactions, polymer alignment and dopants
• Amorphous disorder yields variations in molecular properties such as energetic DOS and transition dipole alignment
• Explicit electrostatic interactions between molecules (including long-range components)
• Model the distribution, transfer and trapping of excitons between host and guest molecules
• Transient response simulations, small-signal analysis and pulsing experiments

More Application Examples

• 3D kinetic Monte Carlo for OLED stacks and organic electronic devices
• Integrated BBinput and BBresults GUI for setup, monitoring, and analysis
• Charge transport and bulk mobility in organic materials
• Exciton dynamics, quenching, annihilation, ISC/RISC, and triplet harvesting
• TADF emitters, hyperfluorescence, exciplexes, CT states, QLED, and QNED
• Molecular disorder, dipole fields, SOP, GSP, and long-range electrostatics
• Device degradation, contact defects, capacitance, and OPV transient potentials
• Photoluminescence, OPV, and photodetector simulations
• Transient switching and pulsed device response
• Parameter screening and voltage sweeps
• Optical outcoupling, including self-absorbing materials

First-principles OLED device simulations in combination with AMS

• Generate OLED morphologies and device inputs with AMS workflows
• Calculate charge transfer integrals for organic electronics
• Calculate phosphorescent lifetimes of OLED emitters
• Use quantum-chemical, workflow, database, or experimental parameters

OLED Workflow Tutorial