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The Journal of Chemical Physics

Implementation of three-qubit quantum computation with pendular states of polar molecules by optimal control

Zuo-Yuan Zhang, Jin‐Ming Liu, Zhengfeng Hu, Yuzhu Wang

Published Jan 22, 2020• 13 citations
Publisher

Abstract

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.

DOI
10.1063/1.5139688

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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.
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 propose a scheme for achieving basic quantum gates using ultracold polar molecules in pendular states. The qubits are encoded in the YbF molecules trapped in an electric field with a certain gradient and coupled by the dipole-dipole interaction. The time-dependent control sequences consisting of multiple pulses are considered to interact with the pendular qubits. To achieve high-fidelity quantum gates, we map the control problem for the coupled molecular system into a Markov decision process and deal with it using the techniques of deep reinforcement learning (DRL). By training the agents over multiple episodes, the optimal control pulse sequences for the two-qubit gates of NOT, controlled NOT, and Hadamard are discovered with high fidelities. Moreover, the population dynamics of YbF molecules driven by the discovered gate sequences are analyzed in detail. Furthermore, by combining the optimal gate sequences, we successfully simulate the quantum circuit for entanglement. Our findings could offer new insights into efficiently controlling molecular systems for practical molecule-based quantum computing using DRL.
Abstract Theoretical schemes for the implementation of the Grover search algorithm are proposed based on ultracold polar molecules in an electric field. The molecular qubits and qudit are chosen as the field‐dressed states formed by the rotational modes of CH 3 CN. With the help of multi‐target optimal control theory, the microwave pulses for the elementary logic operations including the one‐qubit Hadamard gates and the conditional phase gates in a dipole‐dipole system are designed and the factorized Grover algorithm demonstrated using two coupled CH 3 CN molecules. To reduce the accumulation of imprecision and decoherence resulting from the combination of multiple elementary gates, the optimal pulses that can achieve the two‐qubit Hadamard gate and diffusion operation in one step are designed successfully. In this way, the probabilities to find the states corresponding to the desired elements in an unsorted database are enhanced to some extent. Moreover, the optimal pulse sequence suitable for a four‐level molecular qudit, which can be used to simulate the quantum search on a single CH 3 CN molecule with high fidelity, is designed. These results can shed some light on the physical realization of quantum computing based on ultracold polyatomic 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.
Quantum entanglement and coherence are both essential physical resources in quantum theory. Cold polar molecules have long coherence time and strong dipole-dipole interaction and thus have been suggested as a platform for quantum information processing. In this paper, we employ the pendular states of the polar molecules trapped in static electric fields as the qubits, and put forward several theoretical schemes to generate the entanglement and coherence for two coupled dipoles by using optimal control theory. Through the designs of appropriate laser pulses, the transitions from the ground state to the Bell state and maximally coherent state can be realized with high fidelities 0.9906 and 0.9943 in the two-dipole system, respectively. Meanwhile, we show that the degrees of entanglement and coherence between the two pendular qubits are effectively enhanced with the help of optimized control fields. Furthermore, our schemes are generalized to the preparation of the Hardy state and even to the creation of arbitrary two-qubit states. Our findings can shed some light on the implementation of quantum information tasks with the molecular pendular states.
Implementation of quantum gates are important for quantum computations in physical system made of polar molecules. We investigate the feasibility of implementing gates based on pendular states of the molecular system by two different quantum optical control methods. Firstly, the Multi-Target optimal control theory and the Multi-Constraint optimal control theory are described for optimizing control fields and accomplish the optimization of quantum gates. Numerical results show that the controlled NOT gate (CNOT) can be realized under the control of above methods with high fidelities (0.975 and 0.999) respectively. In addition, in order to examine the dependence of the fidelity on energy difference in the same molecular system, the SWAP gate in the molecular system is also optimized with high fidelity (0.999) by the Multi-Constraint optimal control theory with the zero-area and constant-fluence constraints.