To design a a simulator design focusing on scalability, it has been adopted the high level architecture (HLA) model, which is standardized under IEEE 1516. It is used to design a distributed simulation tool for molecular communication, so that different scalability options can be used to include additional processing power to shorten the execution time. This model allows also designing large systems, which could be difficult to do otherwise.
More details can be found at:
A. Akkaya, G. Genc, T. Tugcu, "HLA based architecture for molecular communication simulation", Simulation Modelling Practice and Theory, 2014, 42, pp. 163-177.