Embedded in an interdisciplinary research project, the present work investigates the modeling, simulation, and optimization of specific processes for the production of functional nanoparticles. The examined material systems represent a selection of important core building blocks for future nanotechnologies. Depending on the application, a well-defined particle size distribution of the final product is required. The involved mechanisms (e.g. reaction, growth, ripening, and agglomeration) are described in the modeling by a hyperbolic partial integro-differential equation coupled to one or more ordinary differential equations. The successful validation against experimental data combined with the techniques of optimal control theory thereby allow for a targeted manipulation of the underlying processes. The developed methods establish in many cases for the first time a systematic approach for the production of tailor-made nanoparticles.