In order to automate the research and development process for chemical vapor deposition (CVD) processes, we developed an automatic experimental design system. The system proposed the optimal experimental conditions using multi-objective optimization methods for identifying the reaction mechanism (reaction model) that indicates the reaction paths both in a gas-phase and on a surface from the reactant (source gas) to the product (film). In addition, the optimal experimental conditions as Pareto solutions were rearranged using a cluster analysis method.