Multiscale optimisation of OLED materials and devices with AMS and Bumblebee

TIMESTAMPS
00:00 Introduction Engin Torun and Robert Rüger
02:33 Introduction by Engin Torun
03:30 Outline
04:40 About Simbeyond: Accelerating OLED R&D
06:23 Bumblebee: Ultimate OLED device simulator
09:45 Bumblebee: Workflow
14:40 Simbeyond & SCM: From molecule to device
16:17 Multiscale toolchain: Overall workflow
18:04 Introduction to the atomistic part by Robert Rüger
19:20 Deposition workflow
21:55 LAMMPS/GPU offloading in AMS2023
22:51 DEMO: Deposition workflow
28:40 Validation against thin-film densities
30:00 Properties workflow
33:59 DEMO: Properties workflow
39:50 Results: Site energies, dipole moments and transfer integrals
41:32 Validation on IP/EA for standard materials
43:48 Outlook on AMS2024: Further improvements
50:14 Connecting AMS and Bumblebee
52:42 DEMO: Bumblebee interface
01:01:04 DEMO: Bumblebee via Spiderweb
01:05:49 Energy scaling
01:06:54 Device level simulations
01:07:35 CASE STUDY with Cynora (TADF devices)
01:14:27 DEMO: Reporting of results in the UI
01:19:35 Summary and conclusions

More information on AMS - including a free trial - on https://www.scm.com/?utm_source=youtu...