Mondal, AnirbanAnirbanMondalPaterson, LeanneLeannePatersonCho, JaeyoungJaeyoungChoLin, Kun-HanKun-HanLinvan der Zee, BasBasvan der ZeeWetzelaer, Gert-Jan A. H.Gert-Jan A. H.WetzelaerStankevych, AndreiAndreiStankevychVakhnin, AlexanderAlexanderVakhninKim, Jang-JooJang-JooKimKadashchuk, AndriyAndriyKadashchukBlom, Paul W. M.Paul W. M.BlomMay, FalkFalkMayAndrienko, DenisDenisAndrienko2022-05-042021-12-272022-05-0420212688-4070https://imec-publications.be/handle/20.500.12860/38674Molecular library of OLED host materials—Evaluating themultiscale simulation workflowJournal article reviewMaterials scienceOrganic semiconductorsOLED host materialsmolecular dynamics simulationsDensity-of-State distributioncharge carrier mobilitythermally stimulated luminescencequantum chemical calculationsPolarizable force fieldsKinetic Monte Carlo simulationsreorganization energy