From Molecules to Optics
Schrödinger and Ansys Lumerical collaborate on multi-scale simulation solutions to enable the design of next generation OLED devices from nanoscale to macroscale.
Background
The organic light-emitting diode (OLED) stands as an established display technology widely acclaimed for its properties giving rise to use in mobile devices, augmented reality/virtual reality (AR/VR) systems, and automotives. The inherent flexibility of OLED enables the development of foldable devices with enhanced user interactions. Due to increasing demands for more advanced technologies, the OLED industry faces continuing challenges including improving device efficiency, extending device lifetime and consistent color purity, and developing scalable, cost-effective manufacturing techniques. Importantly, the performance of OLED devices is intrinsically tied to both the properties of the materials (e.g. optical, electronic, thermophysical, morphological), and the method of device fabrication. Thus, it is imperative to develop a comprehensive understanding of OLED materials and device architecture to enable innovation in next-generation products.
In the vast landscape of organic molecules, pinpointing the optimal candidates for optoelectronic materials is akin to finding a needle in a haystack. Relying on trial-and-error approaches proves impractical due to the laborious, expensive, and time-consuming nature of traditional methods. Consequently, there is a pressing need for a paradigm shift in materials discovery to usher in the next generation of OLEDs.
In this white paper, we demonstrate the synergistic application of Schrödinger and Ansys predictive technologies to accelerate characterization, design and optimization of high-performing OLED materials and devices using a multi-scale multi-physics simulation approach. The approach involves employing simulation techniques that span from the molecular level (exploring electronic structure and morphology of the materials) to the nanoscale (examining photonic response). Beyond this, the study extends to the macroscale, encompassing the human perception of the display in realistic lighting conditions. This comprehensive approach allows researchers to gain insight into how materials behave at various scales, facilitating the development of OLED devices that offer improved performance and visual experiences across diverse applications.