33‐4: Supramolecules in Thin Films and OLED Efficiencies

Abstract

This work demonstrates a multi‐tiered computational workflow to accurately and efficiently investigate the electronic properties of OLED materials in realistic thin‐film morphologies. We apply a range of robust atomistic‐scale modeling and simulation methods to reveal hybrid electronic states in OLED films. This work paves the way for efficient materials screening before laborious synthesis and device fabrication.