Quantum computing with defects

The successful development of quantum computers is dependent on identifying quantum systems to function as qubits. Paramagnetic states of point defects in semiconductors or insulators have been shown to provide an effective implementation, with the nitrogen-vacancy center in diamond being a prominent example. The spin-1 ground state of this center can be initialized, manipulated, and read out at room temperature. Identifying defects with similar properties in other materials would add flexibility in device design and possibly lead to superior performance or greater functionality. A systematic search for defect-based qubits has been initiated, starting from a list of physical criteria that such centers and their hosts should satisfy. First-principles calculations of atomic and electronic structure are essential in supporting this quest: They provide a deeper understanding of defects that are already being exploited and allowefficient exploration of new materials systems and defects by design.