Three-dimensional microscopic modelling techniques involving specific calculations based on direct computation of the Brownian, van der Waals, Born, electrical double layer repulsion, bulk, hydrodynamic and external forces (gravity, magnetic etc) acting on and between each particle in a mineral dispersion are now feasible using advanced computer processor architectures. This contribution surveys the hardware requirements, the advantages and limitations of the approach for enabling prediction of dispersion behaviour a priori. The notion of developing a generic particle simulator, akin to the use of molecular modelling in the area of drug design, based on inputting process-relevant data (solution chemistry, mineral solids properties, hydrodynamics etc) is discussed. The methodology is illustrated with application examples involving: predictions of coagulation of mineral fines; shape and size of magnetically-flocculated hematite; and the kinetics of fouling of membrane surfaces and walls.