Affiliation:
1. Schrödinger, Inc. New York NY United States 10036
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.
Cited by
1 articles.
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