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Quantum photoelectrochemistry is a research area in which photoelectrochemical processes are described from a quantum mechanical perspective. This particularly includes the application of quantum chemical calculations to investigate photoelectrochemical systems and properties.

Current reserch in quantum photoelectrochemistry aims to provide fundamental insight into key photoelectrochemical phenomena such as light-harvesting, charge separation, and photoinduced chemical conversion on a molecular and atomistic materials scale where these processes are intrinsically of quantum mechanical in their nature.

Applications of quantum photoelectrochemistry through quantum chemical calculations provide opportunities for materials predictions of relevance for the development of new materials for solar energy conversion such as dye-sensitized solar cells and artificial photosynthesis.