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…