Key of development for OLED devices is compatibility between organic materials. Therefore, the construction of the materials’ properties DB should be followed in order to advance characterization and prediction of the OLED device. In particular, it is necessary to build a number of organic materials DB unlike the conventional Si‐based homo‐junction and alloy changing only heterojunction. So, it should be built based on the organic material parameters, SIMDB (Simulation DB), it is possible to predict and optimize driving voltage and efficiency characteristics for OLED devices. However, the skilled Engineer gets to decide on the simple repeat operation and time consumption for calibrating the material parameter/structure (4~5 layer device based on 20,000 times or more). In order to solve such problems, this paper presents an automatic optimization for electro‐optical characteristics of OLED device. The proposed method and tool are based on a unique heuristic algorithm, which is obtained from accumulated manual calibration experience. In other words, the convergence know‐how is applied random search algorithm and heuristic algorithm were constructed in‐house optimizer enables automated extraction of OLED properties. Finally, by utilizing the built SIMDB is expected to various factors affecting the OLED elements is optimized to be analyzed and prior prediction.