A stochastic model has been created to efficiently explore the parameter space surrounding schemes for a new dye-sensitized solar cell and photoelectrochemical constructs. Models of a variety of semiconductor configurations that are populated with surface-anchored light-absorbing molecules and electrocatalysts are simulated under various illumination conditions. Absorption of light by dyes results in the creation of mobile charges that hop by self-exchange electron transfer across the semiconductor surface and ultimately accumulate on electrocatalysts or recombine.