Since the seminal report by Adachi and co-workers in 2012, there has been a veritable
explosion of interest in the design of thermally activated delayed fluorescence (TADF) …

Light-driven phenomena in organic molecular aggregates underpin several mechanisms
relevant to optoelectronic applications. Modeling these processes is essential for aiding the …

Molecules where the energy of the lowest excited singlet state is found below the energy of
the lowest triplet state (inverted singlet–triplet molecules) are extremely rare. It is particularly …

The process of thermally activated delayed fluorescence (TADF) converts non-radiative
triplet states into emissive singlet states. Herein we outline the fundamentals of TADF, some …

Artificial intelligence (AI) based self-learning or self-improving material discovery system will
enable next-generation material discovery. Herein, we demonstrate how to combine …

We present a deep learning model able to predict excited singlet–triplet gaps with a mean
absolute error (MAE) of≈ 20 meV to obtain potential inverted singlet–triplet (IST) …

Heterocycles with saturated N atoms (HetSNs) are widely used electron donors in organic
light-emitting diode (OLED) materials. Their relatively low bond dissociation energy (BDE) of …

We present a review of the field of high-throughput virtual screening for organic electronics
materials focusing on the sequence of methodological choices that determine each virtual …

Designing luminescent organic materials exhibiting narrowband emission is crucial for
achieving high resolution and energy efficient organic light emitting diodes (OLEDs), but …

We present a data set of 48182 organic semiconductors, constituted of molecules that were
prepared with a documented synthetic pathway and are stable in solid state. We based our …