Incorporating Optical Processes in Multiscale OLED modeling

Simbeyond and SCM are happy to continue their collaboration on Multiscale simulation for Organic Light Emitting Diodes (OLEDs): from molecule to device. In a new project, Multi-Exciton, we will jointly work on including optical processes in our integrated tool chain for optimizing OLED stacks from the material to the devices level. The development, started in February 2023 is be carried out with the support of the Dutch agency for enterprises, RVO (Rijksdienst voor Ondernemend Nederland), via the MIT R&D instrument.

We will build upon the existing workflow to simulate electronic processes across the scales (see SCM tutorials) and add excitonic properties for realistic morphologies of doped OLED materials, which will be coupled to the device level. With these multiscale simulations researchers can understand, predict, and optimize the full set of desired properties of their materials and OLED stacks including J-V curves, EQE, color points, output coupling, and degradation. The calculations will help research zoom in on the most promising molecules and devices, reducing wasteful experiments on materials and stacks that are not likely to deliver performance, decreasing both R&D time and costs.

Webinar: multiscale OLED modeling

See the multiscale workflow in action – register for the webinar on 28 June!
Let us know if you would like to discuss how we can help you optimize your OLEDs.

About Simbeyond

Simbeyond’s state-of-the-art kinetic Monte Carlo simulation code, Bumblebee, is optimized for molecular-scale simulations of opto-electronic processes in disordered systems, such as OLEDs, OPV and OFETs. Bumblebee enables the simulation of the interplay between all electronic and excitonic processes in OLEDs, at the molecular scale, in all three dimensions, and from the nanosecond timescale to the full device lifetime. The simulations predict the electrical characteristics, efficiency, color point, and lifetime of devices, based on physically meaningful material parameters, which may be obtained either from experimental data or from calculations.

Contact information

Would you like to learn how we can help you develop better OLED materials and stacks more quickly? Or maybe you would like to be our pilot user as we get close to a fully integrated, user-friendly simulation platform?
For Simbeyond, please contact Dr. Engin Torun. At SCM, please contact Fedor.

Key concepts