This research presents a comprehensive study of a 3D Perovskite Solar Cell model using Finite Element Analysis (FEA) and Machine Learning (ML). The research aims (i) to understand how material properties impact solar cell’s performance by applying basic semiconductor physics principles (ii) to investigate how interfacial delamination affects the performance of Perovskite solar cells (iii) to determine the optimum thickness of different layers of the solar cell (iv) to determine the fatigue life cycle of Perovskite layer.