/MCARET-python

Monte Carlo Aromatic-molecular Exciton Transport

Primary LanguagePython

Mirror of https://gitlab.umich.edu/kmc/mcaret-python

MCArET-Py

Monte Carlo Aromatic-molecular Exciton Transport: Python version

This repository is the next step in the evolution of MCArEt. It evolves a specified distribution of singlet and triplet molecular excitations on a crystal latticem, in a fully analog kinetic Monte Carlo simulation, and tracks transport and light output. It assumes fully Markovian behavior, and evolves excitons through the following processes:

  1. singlet flourescence (S_1 -> S_0 + hnu)
  2. triplet phosphorescence (T_1 -> S_0 + hnu)
  3. triplet triplet annhilation (T_1 + T_1 -> S_0 + S_1)
  4. singlet quenching (S_1 + S_1 -> S_0 + S_1)
  5. singlet transport
  6. triplet transport

Dependencies

MCArET-Py depends on beykylerandomdict. To install:

pip install -i https://test.pypi.org/simple/ beykylerandomdict

Installation

MCArET-Py will soon be distributed on pypi. For now:

git clone git@gitlab.umich.edu:kmc/mcaret-python.git

To run, from inside the mcaret-py directory:

python runSimulation.py <inputfile>.ini