Evolutionary chemical space exploration for functional materials: computational organic semiconductor discovery
Chi Cheng, Josh E. Campbell, Graeme M. Day
Abstract
]anthracenes with reorganisation energies as low as pentacene and a series of pyridazine-based molecules having both low reorganisation energies and high electron affinities.
Topics & Concepts
Chemical spaceSpace (punctuation)Organic semiconductorSemiconductorCrystal (programming language)Materials scienceNanotechnologyComputer scienceDrug discoveryBiologyOptoelectronicsBioinformaticsOperating systemProgramming languageMachine Learning in Materials ScienceOrganic Electronics and PhotovoltaicsComputational Drug Discovery Methods