Excimontec: An Open-Source Software Tool for Kinetic Monte Carlo Simulations of Organic Electronic Devices*

Kinetic Monte Carlo (KMC) simulations are a powerful computational tool that have been used in concert with experiments and theory to understand and optimize organic semiconductor devices. However, despite over 30 years of applying KMC simulations to organic semiconductors, no standardized software tools have emerged. Instead, many research groups around the world have maintained private codebases of varying complexity, efficiency, and reliability. As a result, there have been large barriers to entry for new researchers and a lot of repetitious efforts that would be much better off applied to further refining the physical models. Excimontec is a new well-tested, reliable, and accessible open-source software tool for performing KMC simulations of organic electronic devices, and this presentation will highlight some of the main features currently available, including time-of-flight charge transport simulations, excited state dynamics simulations, and internal quantum efficiency simulations.