The results presented in this thesis are the first steps towards building a predictive multiphysics model for fabricating high-efficiency OPV devices. Starting from the processing step, a researcher should be able to model the obtained morphology. The morphology can then be used as input to a charge transport model which will determine the performance of the device. Our aim is to make this workflow as efficient and accurate as possible. Such a model does not intend to replace experiments entirely. The goal is to support and accelerate experimental work and occasionally provide data which are beyond the resolution of current experimental techniques. Any computational model is only as good as the approximations that it is based on. It is crucial that we acknowledge and understand these limitations before we make any striking conclusions from simulated data. Physical phenomena that occur in nature are immensely complex and computer simulations still need
to catch up. In the following sections, we highlight the main areas where a lot of progress still needs to be made. This would set the pace for future work in this field.