A method of and apparatus for optimizing a hydrogen producing system is provided. The method of optimizing the hydrogen producing system comprises producing hydrogen gas using a hydrogen producing formulation and removing a chemical substance that reduces the hydrogen gas producing efficiency. Further, the hydrogen producing system comprises a hydrogen producing catalyst, a hydrogen generating voltage applied to the hydrogen producing catalyst to generate hydrogen gas, and a catalyst regenerating device to regenerate the hydrogen producing catalyst to a chemical state capable of generating the hydrogen gas when a hydrogen generating voltage is applied.