QuantumPatch calculates electronic properties of single molecules and pairs of molecules in thin films generated with Deposit, while taking into account environmental effects exclusively on a full quantum mechanical level. Distributions of these properties computed in QuantumPatch are used to compute rate distributions for microscopic processes in full OLED simulations in LightForge.
- Follow the links to find out how to use QauntumPatch using GUI or command line.
- QuantumPatch employs DFT engines to compute quantum chemical properties, providing a variety of options to the end-user to adapt accuracy and computation time to the use case at hand. Read more on DFT enginges here.
- Results of the full quantum-mechanical analysis of the electronic structure of the thin film are written into files. Check out the documentation of QuantumPatch Output Files to understand your results.
- Check out the QuantumPatch webinars for step-by-step instructions on various use cases.
- To include full ab-initio treatment of excitonic processes (especially TTA and TPQ), the ExcitonicPreprocessing GUI is used to compute relevant microscopic input based on Deposit morphologies.
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