Generative Machine Learning Models for the Deconvolution of Charge Carrier Dynamics in Organic Photovoltaic Cells

Charge carrier dynamics critically affect the efficiency and stability of organic photovoltaic devices, but they are challenging to model with traditional analytical methods. We introduce beta-Linearly Decoded Latent Ordinary Differential Equations (beta-LLODE), a machine learning framework that disentangles and reconstructs extraction dynamics from time-resolved charge extraction measurements of P3HT:PCBM cells. This model enables the isolated analysis of the underlying charge carrier behaviour, which was found to be well described by a compressed exponential decay. Furthermore, the learnt interpretable latent space enables simulation, including both interpolation and extrapolation of experimental measurement conditions, offering a predictive tool for solar cell research to support device study and optimisation.