MOMAP

Molecular Luminescence and Transport Properties Calculation Software

MOMAP (Molecular Materials Property Prediction Package) is a set of software for theoretically analyzing and predicting the optoelectronic properties of organic molecular materials. Currently, MOMAP is mainly used to study the luminescent and transport properties of organic molecular materials, as well as to quantitatively predict properties such as luminescent efficiency and mobility.

For luminescent processes (e.g., radiative and non-radiative transitions), MOMAP has developed a time-dependent thermal vibration correlation function method based on Fermi's Golden Rule to calculate radiative rates and spectra. For transport processes, MOMAP obtains the charge transfer rate using a full-quantum charge transfer formula that accounts for the nuclear tunneling effect. Within the theoretical framework of charge random walk, it employs Monte Carlo statistical methods to fit the diffusion function and derives carrier mobility based on Einstein's formula.

MOMAP supports calculations of absorption spectra, fluorescence spectra, phosphorescence spectra, radiative rates, internal conversion rates, intersystem crossing rates, fluorescence quantum yields, phosphorescence quantum yields, and carrier mobility. It is widely used in research on OLED luminescence and transport mechanisms, design of new OLEDs, as well as in fields such as organic display and lighting materials, organic semiconductor materials, organic solar cell materials, organic photodetection, biosensing materials, organic optical communication materials, and organic photocatalysis, providing professional technical support for related industries.

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