Generative organic electronic molecular design informed by quantum chemistry
Cheng-Han Li, Daniel P. Tabor
Abstract
synthesizability. Moreover, we are able to find several different design principles used by chemists for the design of singlet fission and triplet-triplet annihilation molecules.
Topics & Concepts
Generative grammarQuantum chemistryChemistryQuantumComputational chemistryComputer scienceOrganic chemistryArtificial intelligenceMoleculeQuantum mechanicsPhysicsSupramolecular chemistryMachine Learning in Materials ScienceVarious Chemistry Research TopicsMolecular Junctions and Nanostructures