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Communications in Theoretical Physics

Efficient implementation of quantum permutation algorithm using a polar SrO molecule in pendular states

Jie‐Ru Hu, Zuo-Yuan Zhang, Jin‐Ming Liu

Published Oct 8, 2024• 0 citations
Publisher

Abstract

Abstract Quantum algorithms offer more enhanced computational efficiency in comparison to their classical counterparts when solving specific tasks. In this study, we implement the quantum permutation algorithm utilizing a polar molecule within an external electric field. The selection of the molecular qutrit involves the utilization of field-dressed states generated through the pendular modes of SrO. Through the application of multi-target optimal control theory, we strategically design microwave pulses to execute logical operations, including Fourier transform, oracle U f operation, and inverse Fourier transform within a three-level molecular qutrit structure. The observed high fidelity of our outcomes is intricately linked to the concept of the quantum speed limit, which quantifies the maximum speed of quantum state manipulation. Subsequently, we design the optimized pulse sequence to successfully simulate the quantum permutation algorithm on a single SrO molecule, achieving remarkable fidelity. Consequently, a quantum circuit comprising a single qutrit suffices to determine permutation parity with just a single function evaluation. Therefore, our results indicate that the optimal control theory can be well applied to the quantum computation of polar molecular systems.

DOI
10.1088/1572-9494/ad84bc

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Abstract Quantum algorithms offer more enhanced computational efficiency in comparison to their classical counterparts when solving specific tasks. In this study, we implement the quantum permutation algorithm utilizing a polar molecule within an external electric field. The selection of the molecular qutrit involves the utilization of field-dressed states generated through the pendular modes of SrO. Through the application of multi-target optimal control theory, we strategically design microwave pulses to execute logical operations, including Fourier transform, oracle U f operation, and inverse Fourier transform within a three-level molecular qutrit structure. The observed high fidelity of our outcomes is intricately linked to the concept of the quantum speed limit, which quantifies the maximum speed of quantum state manipulation. Subsequently, we design the optimized pulse sequence to successfully simulate the quantum permutation algorithm on a single SrO molecule, achieving remarkable fidelity. Consequently, a quantum circuit comprising a single qutrit suffices to determine permutation parity with just a single function evaluation. Therefore, our results indicate that the optimal control theory can be well applied to the quantum computation of polar molecular systems.
Quantum algorithms can afford greater computational efficiency compared to their classical counterparts when addressing specific computing tasks. We describe here the implementation, using a polar molecule in an external electric field, of the single-qudit cyclic permutation identification algorithm proposed by Gedik et al. [ Sci. Rep. 5 , 14671 ( 2015 ). 10.1038/srep10995 ]. A molecular ququart is realized through the field-dressed states generated as the pendular modes of BaI. By employing multi-target optimal control theory, we design microwave pulses for ququart-based operations such as the Fourier transformation and its inverse, as well as the oracle U f operation. Specifically, we design an optimized pulse sequence that realizes a quantum algorithm on a single BaI molecule identifying the parity of a member of a set of cyclic permutations with high fidelity. This demonstrates the applicability of optimal control theory to polar molecules for quantum computation.
Ultracold polar molecules have been considered as the possible candidates for quantum information processing due to their long coherence time and strong dipole-dipole interaction. In this paper, we consider three coupled polar molecules arranged in a linear chain and trapped in an electric field with gradient. By employing the pendular states of polar molecules as qubits, we successfully realize three-qubit quantum gates and quantum algorithms via the multi-target optimal control theory. Explicitly speaking, through the designs of the optimal laser pulses with multiple iterations, the triqubit Toffoli gate, the triqubit quantum adders, and the triqubit quantum Fourier transform can be achieved in only one operational step with high fidelities and large transition probabilities. Moreover, by combining the optimized Hadamard, oracle, and diffusion gate pulses, we simulate the Grover algorithm in the three-dipole system and show that the algorithm can perform well for search problems. In addition, the behaviors of the fidelity and the average transition probability with respect to iteration numbers are compared and analyzed for each gate pulse. Our findings could pave the way toward scalability for molecular quantum computing based on the pendular states and could be extended to implement multi-particle gate operation in the molecular system.
Quantum walks are the quantum counterpart of classical random walks and have various applications in quantum information science. Polar molecules have rich internal energy structure and long coherence time and thus are considered as a promising candidate for quantum information processing. In this paper, we propose a theoretical scheme for implementing discrete-time quantum walks on a circle with dipole-dipole coupled SrO molecules. The states of the walker and the coin are encoded in the pendular states of polar molecules induced by an external electric field. We design the optimal microwave pulses for implementing quantum walks on a four-node circle and a three-node circle by multi-target optimal control theory. To reduce the accumulation of decoherence and improve the fidelity, we successfully realize a step of quantum walk with only one optimal pulse. Moreover, we also encode the walker into a three-level molecular qutrit and a four-level molecular ququart and design the corresponding optimal pulses for quantum walks, which can reduce the number of molecules used. It is found that all the quantum walks on a circle in our scheme can be achieved via optimal control fields with high fidelities. Our results could shed some light on the implementation of discrete-time quantum walks and high-dimensional quantum information processing with polar molecules.
Quantum entanglement in high-dimensional Hilbert space offers broad prospects for quantum information science. Polar molecules have a rich internal structure and long coherence time, serving as an attractive candidate for quantum information processing. In this paper, we propose a theoretical scheme for creating high-dimensional entangled states based on ultracold SrO molecules. Qudits are encoded in the pendular states induced by an external electric field and coupled by the dipole-dipole interaction. With the assistance of optimal control theory, a series of optimal microwave fields is designed for the generation of an entangled qutrit-qubit state, qutrit-qutrit state, and ququart-ququart state through numerical iterations. We detail the relation of the fidelity and entanglement of the systemic final states with the number of iteration steps after the control fields are applied and analyze the population dynamics of the field-driven wave functions during time evolution. Moreover, three coupled SrO molecules arranged in an equilateral triangle configuration are employed as pendular qubits, and the trimolecular WWW and Greenberger-Horne-Zeilinger states are realized with high fidelities by optimal control. The specific molecule and experimental parameters used in our theoretical studies are chosen for computational convenience, but we include a discussion of how our results can be applied to realistic situations as well. In principle, our results could be extended to a situation with more pendular qudits, providing a significant step toward the achievement of high-dimensional quantum information processing with arrays of polar molecules.
We present a systematic approach to implementation of basic quantum logic gates operating on polar molecules in pendular states as qubits for a quantum computer. A static electric field prevents quenching of the dipole moments by rotation, thereby creating the pendular states; also, the field gradient enables distinguishing among qubit sites. Multi-target optimal control theory is used as a means of optimizing the initial-to-target transition probability via a laser field. We give detailed calculations for the SrO molecule, a favorite candidate for proposed quantum computers. Our simulation results indicate that NOT, Hadamard and CNOT gates can be realized with high fidelity, as high as 0.985, for such pendular qubit states.
We present a systematic approach to implementation of basic quantum logic gates operating on polar molecules in pendular states as qubits for a quantum computer. A static electric field prevents quenching of the dipole moments by rotation, thereby creating the pendular states; also, the field gradient enables distinguishing among qubit sites. Multi-target optimal control theory is used as a means of optimizing the initial-to-target transition probability via a laser field. We give detailed calculations for the SrO molecule, a favorite candidate for proposed quantum computers. Our simulation results indicate that NOT, Hadamard and CNOT gates can be realized with high fidelity, as high as 0.985, for such pendular qubit states.