A set of modeling programs for constructing a sequence of energy zones of heterojunctions is presented for analyzing the distribution of charge carriers in the heterostructure and internal characteristics, for describing the processes of charge transfer and accumulation. Wolfram Mathematica analytical system and Delphi programming language were used. The main elements of materials are semiconductors, metals of contact structures and injection regions of nonequilibrium carriers. The programs allow determining the structural characteristics of materials, active zones and spatial charge regions, calculating quasi-Fermi levels and built-in potentials, as well as the efficiency of heterostructures in general and for separation-charge collection, charge accumulation, determining the type of metallization of barrier or ohmic contact.