most citedData-Driven Design Rules for TADF Emitters from a High-Throughput Screening of 747 Molecules

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physics.optics2025

Advancing excited-state simulations for TADF emitters: An eXtended Tight-Binding framework for high-throughput screening and design

Jean-Pierre Tchapet Njafa, Aissatou Maghame, Elvira Vanelle Kameni Tcheuffa +1

We present a computationally efficient framework for predicting the excited-state properties of thermally activated delayed fluorescence (TADF) emitters, integrating extended tight…