This paper proposes an optimal design procedure for a green building equipped with renewable energy, energy storages, and proton exchange membrane fuel cells (PEMFCs). First, we introduce the hybrid power system of the green building and construct a simulation model using Matlab/SimPowerSystem (TM). The model parameters are tuned so that the system responses can be estimated without extensive experiments in the optimization processes. Second, we define the cost and reliability indexes to optimize the system design using three steps: component selection, component sizing, and power management (PM) adjustment. We further define the safety index to evaluate the system's sustainability under extreme conditions when no renewable energy is available. Last, we apply the proposed procedures to the green building and demonstrate the benefits of the optimal design. The proposed method can be directly applied to develop customized hybrid power systems in the future. (C) 2017 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.