QuantumPatch

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.

Further information on applicability, method and algorithm is available in the QuantumPatch Documentation or here: QuantumPatch1.pdf

  • 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.

Preceding module: Deposit Proceding module: LightForge KMC

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