Aluminum nitride is a Ⅲ-Ⅴ semiconductor presently under intensive study for development in photonic, data storage and high temperature/high voltage electronic devices. Point defects are prevalent in as-grown samples due to mismatch between the crystal surface film and currently used substrates. Detailed understanding of point defects is needed to control their effects in device application. We have begun a computational study, Aluminum nitride is a III-Ⅴ semiconductor presently under intensive study for development in photonic, data storage and high temperature / high voltage electronic devices. Point defects are prevalent in as-grown samples due to mismatch between the crystal surface film and currently used substrates. Detailed understanding of point defects is needed to control their effects in device application. We have begun a computational study,