The electrolytic hydrogen production from water using new energy sources plays a crucial role in promoting sustainable energy development and achieving carbon neutrality goals. In this paper, considering the characteristics of the electrolytic hydrogen production process and the stability of hydrogen usage, a method for optimizing the capacity configuration of new energy electrolytic hydrogen production is proposed, which takes into account the hydrogen producing, storage, and transportation. Firstly, a calculation model is established for hydrogen production equipment, power generation equipment, and grid connection lines. Then, the optimization problem is solved with the objective of minimizing the overall lifecycle cost using a mixed-integer linear programming (MILP) algorithm. Case studies demonstrate the effectiveness of the proposed model and provide reference for project investment and operation.