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Physical Review A

Numerical optimal control of spin systems at zero magnetic field

Min Jiang, Ji Bian, Xiaomei Liu, Hengyan Wang, Yunlan Ji, Bo Zhang, Xinhua Peng, Jiangfeng Du

Published Jun 18, 2018• 16 citations
Publisher

Abstract

Zero-field nuclear magnetic resonance (NMR) has been recently developed as a complementary tool for nondestructive structural investigations of matter. However, precise and efficient control in such systems is still at the beginning. Based on the controllability of spin systems, we theoretically study the issue of quantum control in zero-field NMR by using a numerical optimization method based on the gradient ascent pulse engineering (GRAPE) algorithm. A set of quantum gates, including single-qubit and two-qubit gates, are achieved as examples. In particular, we show that homonuclear spins can be individually manipulated in zero-field NMR by the GRAPE method, which extends the ability to manipulate spin systems at zero magnetic field. Quantum control realized by the numerical GRAPE method features the properties of high fidelity, robustness, and hardware-friendly characteristics. High-fidelity quantum control in zero-field NMR systems might provide promising applications in material science, chemical analysis, quantum information processing, and fundamental physics.

DOI
10.1103/physreva.97.062118

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Zero-field nuclear magnetic resonance (NMR) has been recently developed as a complementary tool for nondestructive structural investigations of matter. However, precise and efficient control in such systems is still at the beginning. Based on the controllability of spin systems, we theoretically study the issue of quantum control in zero-field NMR by using a numerical optimization method based on the gradient ascent pulse engineering (GRAPE) algorithm. A set of quantum gates, including single-qubit and two-qubit gates, are achieved as examples. In particular, we show that homonuclear spins can be individually manipulated in zero-field NMR by the GRAPE method, which extends the ability to manipulate spin systems at zero magnetic field. Quantum control realized by the numerical GRAPE method features the properties of high fidelity, robustness, and hardware-friendly characteristics. High-fidelity quantum control in zero-field NMR systems might provide promising applications in material science, chemical analysis, quantum information processing, and fundamental physics.
With the development of quantum information science, the active manipulation of quantum systems is becoming an important research frontier. To build realistic quantum information processors, one of the challenges is to implement arbitrary desired operations with high precision on quantum systems. A large number of quantum control methods and relevant numerical techniques have been put forward in recent years, such as quantum optimal control and quantum feedback control. Nuclear magnetic resonance (NMR) spin systems offer an excellent testbed to develop benchmark tools and techniques for controlling quantum systems. In this review paper, we briefly introduce some of the basic control ideas developed for NMR systems in recent years. We first explain, for the liquid spin systems, the physics of various couplings and the causes of relaxation effects. These mechanisms govern the system dynamics, and thus are crucial for constructing rigorous and efficient control models. We also identify three types of available control means: 1) raido-frequency fields as coherent controls; 2) phase cycling, gradient fields and relaxation effects as non-unitary controls; 3) radiation damping effect as feedback control mechanism. Then, we elucidate some important control tasks, which may arise from the conventional NMR spectroscopy (e.g., pulse design and polarization transfer) or from quantum information science (e.g., algorithmic cooling and pseudo-pure state preparation). In the last part, we review some of the most important control methods that are applicable to NMR control tasks. For systems with a relatively small number of spins, it is possible to use analytic optimal control theory to realize the target unitary operations. However, for larger systems, numerical methods are necessary. The gradient ascent pulse engineering algorithm and pulse compiler techniques are the most successful techniques for implementing complicated quantum networks currently. There are some interesting topics of utilizing radiation damping and relaxation effects to achieve more powerful controls. Finally, we give an outline of the possible future work.
This paper describes a general method for the manipulation of nuclear spins in zero magnetic field. In the absence of magnetic fields, the spins lose the individual information on chemical shifts and inequivalent spins can only be distinguished by nuclear gyromagnetic ratios and spin-spin couplings. For spin-12\frac{1}{2}21​ nuclei with different gyromagnetic ratios (i.e., different species) in zero magnetic field, we describe the scheme to realize a set of universal quantum logic gates, e.g., arbitrary single-qubit gates and a two-qubit controlled-not gate. This method allows for universal quantum control in systems which might provide promising applications in materials science, chemistry, biology, quantum information processing, and fundamental physics.
An exquisite control over the dynamics of a quantum system is essential for realizing any quantum technology. This thesis presents some practical and efficient strategies for coherent quantum control: a paradigm for controlling quantum dynamics using electromagnetic fields. Coherent control is a common framework for describing the physical implementation of quantum logic gates in several quantum information processing platforms including superconducting qubits and trapped ions. For the purpose of demonstration, however, liquid-state Nuclear Magnetic Resonance (NMR) is used in this thesis as it is an ideal test-bed for developing, testing and benchmarking coherent control tools and techniques. Coherent control was revitalised in 2005 by the development of Gradient Ascent Pulse Engineering (GRAPE), a powerful optimal control technique that is widely used for designing shaped pulses for a variety of tasks. GRAPE, like any other closed-loop optimal control algorithm, requires multiple evaluations of the computationally expensive matrix exponential and the full time-evolution propagator. To this end, I present strategies to sidestep the explicit evaluation of matrix exponentials, thereby offering substantial speed-ups over conventional implementations of the GRAPE algorithm. The results are demonstrated experimentally in NMR, but also in simulations of ultracold molecules and superconducting qubits. Beyond GRAPE, this thesis also considers methods for designing spin-echo sequences for implementing any arbitrary network of controlled-Z gates in a system of qubits with zz-couplings. First, a method based on linear-programming provides near time-optimal sequences in fully-coupled systems having up to a few hundred qubits. Further, an analytic method based on graph colouring finds near time-optimal spin echo sequences in engineered systems with any number of qubits having only nearest and next-nearest neighbour-couplings.
Zero-field nuclear magnetic resonance (NMR) provides complementary analysis modalities to those of high-field NMR and allows for ultra-high-resolution spectroscopy and measurement of untruncated spin-spin interactions. Unlike for the high-field case, however, universal quantum control -- the ability to perform arbitrary unitary operations -- has not been experimentally demonstrated in zero-field NMR. This is because the Larmor frequency for all spins is identically zero at zero field, making it challenging to individually address different spin species. We realize a composite-pulse technique for arbitrary independent rotations of 1^11H and 13^{13}13C spins in a two-spin system. Quantum-information-inspired randomized benchmarking and state tomography are used to evaluate the quality of the control. We experimentally demonstrate single-spin control for 13^{13}13C with an average gate fidelity of 0.9960(2)0.9960(2)0.9960(2) and two-spin control via a controlled-not (CNOT) gate with an estimated fidelity of 0.990.990.99. The combination of arbitrary single-spin gates and a CNOT gate is sufficient for universal quantum control of the nuclear spin system. The realization of complete spin control in zero-field NMR is an essential step towards applications to quantum simulation, entangled-state-assisted quantum metrology, and zero-field NMR spectroscopy.
Quantum optimal control, a powerful toolbox for engineering an optimal control field modulation that most precisely implements a desired quantum operation in the best way possible, has evolved into one of the cornerstones for enabling quantum technologies. The gradient ascent pulse engineering (GRAPE) algorithm is a widely used method in quantum optimal control, which has achieved great success in different physical platforms. However, its computational complexity increases exponentially with the number of qubits, making it challenging to be implemented for large-scale quantum systems. To mitigate this issue, we present the iterative GRAPE algorithm (iGRAPE), which reduces the optimization problem into a series of lower-dimensional subproblems by incorporating disentanglement operations. Our numerical simulations on physical platforms such as nuclear magnetic resonance and superconducting quantum systems demonstrate that iGRAPE significantly enhances state preparation speed. Specifically, compared to GRAPE, iGRAPE achieves up to a five-fold acceleration in preparing Greenberger--Horne--Zeilinger states using a 12-qubit implementation, and up to a 13-fold acceleration for arbitrary state preparation with eight qubits. To further validate our findings, we conduct experimental validation of iGRAPE on a four-qubit nuclear magnetic resonance system. Overall, iGRAPE offers an efficient solution for implementing optimal control in large-scale quantum systems, holding great potential for advancing quantum technologies during the noisy intermediate-scale quantum era.