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arXiv:2507.22768 · Physical Review Research

Molecular spin qudits to test generalized Bell inequalities

Silvia Macedonio, Luca Lepori, Alessandro Chiesa, Simone Chicco, L Bersani, Marcos Rubín-Osanz, Lukas Bradley Woodcock, Athanasios Mavromagoulos, G. Allodi, Elena Garlatti, Stergios Piligkos, Augusto Smerzi, Stefano Carretta

Published Jan 5, 2026• 2 citations
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Abstract

We show that molecular nanomagnets provide an ideal platform to investigate entanglement in qubit-qudit and qudit-qudit pairs. A prototypical example is Yb 173 (trensal), embedding an electronic spin qubit coupled to a nuclear spin qudit. We demonstrate violation of generalized Bell inequalities on this molecule by developing an optimized pulse sequence and by performing realistic numerical simulations using experimentally measured Hamiltonian parameters and coherence times. We find that the inequalities are safely violated in a wide range of parameters, proving the robustness of entanglement in the investigated system. Furthermore, we propose a scheme to study qudit-qudit entanglement on a molecular spin trimer, in which two spins 3/2 are linked via an interposed switch to turn on and off their mutual interaction.

DOI
10.1103/sn37-b9rr

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We show that molecular nanomagnets provide an ideal platform to investigate entanglement in qubit-qudit and qudit-qudit pairs. A prototypical example is Yb 173 (trensal), embedding an electronic spin qubit coupled to a nuclear spin qudit. We demonstrate violation of generalized Bell inequalities on this molecule by developing an optimized pulse sequence and by performing realistic numerical simulations using experimentally measured Hamiltonian parameters and coherence times. We find that the inequalities are safely violated in a wide range of parameters, proving the robustness of entanglement in the investigated system. Furthermore, we propose a scheme to study qudit-qudit entanglement on a molecular spin trimer, in which two spins 3/2 are linked via an interposed switch to turn on and off their mutual interaction.
Abstract Molecular Nanomagnets may enable the implementation of qudit-based quantum error-correction codes which exploit the many spin levels naturally embedded in a single molecule, a promising step towards scalable quantum processors. To fully realize the potential of this approach, a microscopic understanding of the errors corrupting the quantum information encoded in a molecular qudit is essential, together with the development of tailor-made quantum error correction strategies. We address these central points by first studying dephasing effects on the molecular spin qudit produced by the interaction with surrounding nuclear spins, which are the dominant source of errors at low temperatures. Numerical quantum error correction codes are then constructed, by means of a systematic optimization procedure based on simulations of the coupled system-bath dynamics, that provide a striking enhancement of the coherence time of the molecular computational unit. The sequence of pulses needed for the experimental implementation of the codes is finally proposed.
Molecular nanomagnets are quantum spin systems potentially serving as qudits for future quantum technologies thanks to their many accessible low-energy states. At low temperatures, the primary source of error in these systems is pure dephasing, caused by their interactions with the bath of surrounding nuclear spins degrees of freedom. Most importantly, as the system’s dimensionality grows going from qubits to qudits, the control and mitigation of decoherence become more challenging. Here, we analyze the characteristics of pure dephasing in molecular qudits under spin-echo sequences. We use a realistic description of their interaction with the bath, whose non-Markovian dynamics is accurately computed by the cluster correlation expansion technique. First, we show that the differences in the expectation values of the local spin operators on the eigenstates of the qudit are the source of decoherence in these systems. Indeed, we demonstrate that this is a necessary and sufficient condition to prevent the decay of coherence with time, also introducing a parameter to quantify the deviation from such ideal condition. We illustrate this with two paradigmatic systems: a single giant spin and a composite antiferromagnetic spin system. We then advance a proposal for optimized nanomagnets, identifying key ingredients for engineering robust qudits for quantum technologies.
The implementation of a universal quantum processor still poses fundamental issues related to error mitigation and correction, which demand to investigate also platforms and computing schemes alternative to the main stream. A possibility is offered by employing multi-level 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. Single-qudit unitaries (potentially embedding multiple qubits) are implemented by fast classical drives, while a novel 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.
Molecular nanomagnets (MNMs), molecules containing interacting spins, have been a playground for quantum mechanics. They are characterized by many accessible low-energy levels that can be exploited to store and process quantum information. This naturally opens the possibility of using them as qudits, thus enlarging the tools of quantum logic with respect to qubit-based architectures. These additional degrees of freedom recently prompted the proposal for encoding qubits with embedded quantum error correction (QEC) in single molecules. QEC is the holy grail of quantum computing and this qudit approach could circumvent the large overhead of physical qubits typical of standard multi-qubit codes. Another important strength of the molecular approach is the extremely high degree of control achieved in preparing complex supramolecular structures where individual qudits are linked preserving their individual properties and coherence. This is particularly relevant for building quantum simulators, controllable systems able to mimic the dynamics of other quantum objects. The use of MNMs for quantum information processing is a rapidly evolving field which still requires to be fully experimentally explored. The key issues to be settled are related to scaling up the number of qudits/qubits and their individual addressing. Several promising possibilities are being intensively explored, ranging from the use of single-molecule transistors or superconducting devices to optical readout techniques. Moreover, new tools from chemistry could be also at hand, like the chiral-induced spin selectivity. In this paper, we will review the present status of this interdisciplinary research field, discuss the open challenges and envisioned solution paths which could finally unleash the very large potential of molecular spins for quantum technologies.
-level qudits instead of two-level qubits can largely increase the power of quantum logic for many applications, ranging from quantum simulations to quantum error correction. Magnetic molecules are ideal spin systems to realize these large-dimensional qudits. Indeed, their Hamiltonian can be engineered to an unparalleled extent and can yield a spectrum with many low-energy states. In particular, in the past decade, intense theoretical, experimental, and synthesis efforts have been devoted to develop quantum simulators based on molecular qubits and qudits. However, this remarkable potential is practically unexpressed, because no quantum simulation has ever been experimentally demonstrated with these systems. Here, we show the first prototype quantum simulator based on an ensemble of molecular qudits and a radiofrequency broadband spectrometer. To demonstrate the operativity of the device, we have simulated quantum tunneling of the magnetization and the transverse-field Ising model, representative of two different classes of problems. These results represent an important step toward the actual use of molecular spin qudits in quantum technologies.