Reverse Designing the Wavelength-Specific Thermally Activation Delayed Fluorescent Molecules Using a Genetic Algorithm Coupled with Cheap QM Methods.Genetic algorithm (GA) optimization coupled with the semiempirical intermediate neglect of differential overlap (INDO)/CIS method is presented to inversely design the red thermally activation delayed fluorescent (TADF) molecules. 
THERM
According to the predefined donor-acceptor (DA) library to build an AD-type TADF candidate, we utilized the chemical notation language SMILES code to generate a TADF molecule and apply the RDKit program to produce the initial 3D molecular structure. 
RDKit