Frequency-based Quantum Computers from a Chemist's Perspective

Quantum computer elements are often designed and tested using molecular or nanoscopic components that form registers of qubits in which memory is stored and information processed. Often such registers are probed and manipulated using frequency-based techniques such as nuclear-magnetic resonance spectroscopy. A major challenge is to design molecules to act as these registers. We provide a basis for rational molecular design through consideration of the generic spectroscopic properties required for quantum computing, bypassing the need for intricate knowledge of the way these molecules are used spectroscopically. Designs in which two-qubit gate times scale similarly to those for one-qubit gates are presented. The specified spectroscopic requirements are largely independent of the type of spectroscopy used (e. g. magnetic resonance or vibrational) and are often independent of technical details of the application (e.g. broadband or high-resolution spectroscopy). This should allow the design of much larger quantum registers than have currently been demonstrated.