This research aims to develop and validate a high-fidelity, data-driven simulation model for Proton Exchange Membrane Fuel Cells (PEMFCs) to optimize their performance and durability for sustainable transportation applications. As a critical clean energy technology, PEMFCs offer a promising zero-emission alternative to internal combustion engines. However, their widespread adoption in transportation hinges on overcoming challenges related to efficiency, cost, and longevity under real-world operating conditions. This study will leverage computational modeling techniques, including computational fluid dynamics (CFD) and multi-physics simulation, to create a virtual representation of PEMFC operation. The model will be parameterized and validated against experimental datasets to ensure predictive accuracy. Key performance indicators such as polarization curves, species distribution, water and thermal management, and degradation mechanisms will be analyzed. The primary objective is to utilize this data-driven simulation as a tool for virtual prototyping and optimization. By simulating various design configurations, material properties, and operational strategies—such as flow field design and load cycling—the research seeks to identify pathways to enhance PEMFC performance and resilience specifically for automotive use cases. The findings are intended to contribute to the accelerated development of more efficient and reliable hydrogen fuel cell vehicles, thereby supporting the decarbonization of the transportation sector and the transition to a sustainable energy future.