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arXiv:2401.05086 · Nature Physics

Quantum computation and quantum simulation with ultracold molecules

Simon L. Cornish, Michael R. Tarbutt, Kaden R. A. Hazzard

Published May 1, 2024• 136 citations
arXivHTMLPDF
DOI
10.1038/s41567-024-02453-9

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Precise control over rotational angular momentum is at the heart of recent advances in quantum chemistry, quantum simulation, and quantum computation with ultracold bialkali molecules. Each rotational state comprises a rich manifold of hyperfine states arising from combinations of rotation and nuclear spins; this often yields hundreds of transitions available between a given pair of rotational states, and the efficient navigation of this complex space is a current challenge for experiments. Here, we describe a general approach based on a simple heuristic and graph theory to quickly identify optimal sets of states in ultracold bialkali molecules. We explain how to find pathways through the many available transitions to prepare the molecule in a specific state with maximum speed for any desired fidelity. We then examine networks of states where multiple couplings are present at the same time. As example applications, we first identify a closed loop of four states in the RbCs molecule where there is minimal population leakage out of the loop during simultaneous microwave coupling; we then extend the optimisation procedure to account for decoherence induced by magnetic-field noise and obtain an optimal set of 3 states for quantum computation applications.
Ultracold molecules are becoming an increasingly important technology for quantum simulation, computation, and sensing, but their state preparation in large, low-entropy arrays remains a key challenge. We propose to deterministically load single molecules into optical tweezer arrays or lattices from either thermal or degenerate gases, with a high probability of occupying the tweezer's motional ground state. Strong repulsion between microwave-shielded molecules prevents multiparticle occupancy. Our proposal represents a robust scheme for deterministic single molecule preparation directly in the motional ground state with expected fidelities exceeding 99 percent for small trap volumes and highly polar species. This method can be scaled to thousands of traps limited by the reservoir molecule number, opening the door to large, low-entropy polar molecule arrays for quantum computation, quantum simulation, and precision measurement.