We demonstrate, numerically, the possibility of manipulating the spin states of molecular nanomagnets with shaped microwave pulses designed with quantum optimal control theory techniques. The stateto-state or full gate transformations can be performed in this way in shorter times than using simple monochromatic resonant pulses. This enhancement in the operation rates can therefore mitigate the effect of decoherence. The optimization protocols and their potential for practical implementations are illustrated by simulations performed for a simple molecular cluster hosting a single Gd 3+ ion. Its eight accessible levels (corresponding to a total spin S = 7/2) allow encoding an eight-level qudit or a system of three coupled qubits. All necessary gates required for universal operation can be obtained with optimal pulses using the intrinsic couplings present in this system. The application of optimal control techniques can facilitate the implementation of quantum technologies based on molecular spin qudits.

The implementation of a universal quantum processor still poses fundamental issues related to error mitigation and correction, which demand investigation of also platforms and computing schemes alternative to the main stream. A possibility is offered by employing multilevel logical units (qudits), naturally provided by molecular spins. Here we present the blueprint of a molecular spin quantum processor consisting of single molecular nanomagnets, acting as qudits, placed within superconducting resonators adapted to the size and interactions of these molecules to achieve a strong single spin-to-photon coupling. We show how to implement a universal set of gates in such a platform and to readout the final qudit state. Singlequdit unitaries (potentially embedding multiple qubits) are implemented by fast classical drives, while an alternative scheme is introduced to obtain two-qubit gates via resonant photon exchange. The latter is compared to the dispersive approach, finding in general a significant improvement. The performance of the platform is assessed by realistic numerical simulations of gate sequences, such as Deutsch-Josza and quantum simulation algorithms. The very good results demonstrate the feasibility of the molecular route towards a universal quantum processor.

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