Quantum hardware simulating four-dimensional inelastic neutron scattering

Finite-size spin systems could constitute key elements in future spintronics devices [1-5], long-lasting nano-scale memories [6] or scalable and noise-resilient quantum computing platforms [7-9]. They are also natural test-beds for investigating peculiar quantum phenomena [10]. Inelastic Neutron Scattering is the technique of choice to model these systems. Indeed, it enables an atomic-scale characterization of the molecular eigenstates [11], which can provide unambiguous fingerprints of the spin cluster [12, 13] and can be used to quantify entanglement in supramolecular complexes [14]. However, the full potential of molecular magnetism is still largely unexploited, because large molecules and complex supramolecular structures can be controllably synthesized [15-18], but are poorly understood. In fact, their large Hilbert space precludes the simulation of their dynamics and the interpretation of spectroscopic measurements. Here we show that quantum computers [19-22] can efficiently solve this issue. By simulating prototypical spin systems on the IBM quantum hardware [22], we extract dynamical correlations and the associated magnetic neutron cross-section. From this information we then obtain the degree of entanglement in eigenstates. The synergy between developments in neutron scattering and processors containing few dozens of qubits will enable a big step forward in the design of spin clusters for fundamental and technological applications.