In order to predict the quantum efficiency of a organic photovoltaic (OPV) devices, modeling and simulation approach can be used. The preparation of three computation parts are needed to predict the external and internal quantum efficiency of OPV devices. The morphology modeling, exciton dissociation and charge transport are the three important parts to be modeled for performance evaluation. We focus on a bulk hetero-junction (BHJ) OPV devices since it is known to achieve high quantum efficiency because of accelerating exciton dissociation efficiency.