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Journal of Magnetic Resonance Open

Quantum sensing tools to characterize physical, chemical and biological processes with magnetic resonance

Analía Zwick, Gonzalo A. Álvarez

Published Mar 28, 2023• 11 citations
Publisher

Abstract

Nuclear Magnetic Resonance (NMR) plays a central role in developing quantum information sciences and technologies. Key features such as its non-invasive nature and the ability to process information on nuclear spins by versatile quantum control designs with electromagnetic fields, have made NMR to become a powerful technique for sensing systems from atomic and molecular scales with spectroscopy to millimeters in imaging. This brief overview provides quantum sensing tools with which we are contributing from Latin America, by combining quantum dynamical control and estimation strategies with NMR methods to probe physical, chemical, and biological processes. It introduces the basic and key concepts on how controlled spin-sensors can monitor the correlation dynamics of their environment, and selectively and optimally infer its relevant parameters. Then these concepts are illustrated with state-of-the-art implementations for characterizing (i) biological tissue microstructure with diffusion weighting imaging, (ii) quantum information dynamics and scrambling in out-of-equilibrium systems with solid-state NMR quantum simulations, and (iii) molecular structures by selective estimation of spin–spin couplings and online learning control designs with experimental proposals. We expect these concepts will motivate the development of quantum dynamical control of spin sensors to monitor systems in a variety of fields, and in particular to exploit the non-invasive strength of NMR, e.g. in biomedical diagnosis. • Quantum control and estimation tools probe physical, chemical, biological processes. • Efficient quantum sensing for maximizing relevant environmental information. • Biological tissue microstructure characterization with diffusion weighting imaging. • Assessing fragility of quantum information dynamics in out-of-equilibrium systems. • Selective estimation of spin–spin couplings and online learning control designs.

DOI
10.1016/j.jmro.2023.100113

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Nuclear Magnetic Resonance (NMR) plays a central role in developing quantum information sciences and technologies. Key features such as its non-invasive nature and the ability to process information on nuclear spins by versatile quantum control designs with electromagnetic fields, have made NMR to become a powerful technique for sensing systems from atomic and molecular scales with spectroscopy to millimeters in imaging. This brief overview provides quantum sensing tools with which we are contributing from Latin America, by combining quantum dynamical control and estimation strategies with NMR methods to probe physical, chemical, and biological processes. It introduces the basic and key concepts on how controlled spin-sensors can monitor the correlation dynamics of their environment, and selectively and optimally infer its relevant parameters. Then these concepts are illustrated with state-of-the-art implementations for characterizing (i) biological tissue microstructure with diffusion weighting imaging, (ii) quantum information dynamics and scrambling in out-of-equilibrium systems with solid-state NMR quantum simulations, and (iii) molecular structures by selective estimation of spin–spin couplings and online learning control designs with experimental proposals. We expect these concepts will motivate the development of quantum dynamical control of spin sensors to monitor systems in a variety of fields, and in particular to exploit the non-invasive strength of NMR, e.g. in biomedical diagnosis. • Quantum control and estimation tools probe physical, chemical, biological processes. • Efficient quantum sensing for maximizing relevant environmental information. • Biological tissue microstructure characterization with diffusion weighting imaging. • Assessing fragility of quantum information dynamics in out-of-equilibrium systems. • Selective estimation of spin–spin couplings and online learning control designs.
Solid-state nuclear magnetic resonance (NMR) has emerged as an important technique for material characterization, finding extensive applications across a diverse range of disciplines including physics, materials science, chemistry, and biology. Its utility stems from the ability to probe the local atomic environments and molecular dynamics within solid materials, which provides information on the composition of the material. In recent years, the scope of solid-state NMR has expanded into the realm of quantum information science and technology, where its abundant many-body interactions pulse control methodologies make it have significant research value and application potential. This paper offers a comprehensive overview of the research objects and theoretical underpinnings of solid-state NMR, delving into the critical nuclear spin interaction mechanisms and their corresponding Hamiltonian forms. These interactions, which include dipolar coupling, chemical shift anisotropy, and quadrupolar interactions, are fundamental to the interpretation of NMR spectra and the understanding of material properties at the atomic level. Moreover, the paper introduces typical dynamical control methods employed in the manipulation of solid-state nuclear spins. Techniques such as dynamical decoupling, which mitigates the effects of spin-spin interactions to extend coherence times, and magic-angle spinning, which averages out anisotropic interactions to yield high-resolution spectra. These methods are essential for enhancing the sensitivity and resolution of NMR experiments, enabling the extraction of detailed structural and dynamic information from complex materials. Then we introduce some recent advancements in quantum control based on solid-state NMR, such as nuclear spin polarization enhancement techniques, which include dynamic nuclear polarization (DNP) and cross polarization (CP), significantly boost the sensitivity of NMR measurements. Additionally, the control techniques of Floquet average Hamiltonians are mentioned, showcasing their role in the precise manipulation of quantum states and the realization of quantum dynamics. Finally, the paper presents a series of seminal research works that illustrate the application of solid-state NMR quantum control technologies in the field of quantum simulation. These studies demonstrate how solid-state NMR can be leveraged to simulate and investigate quantum many-body systems, providing valuable insights into quantum phase transitions, entanglement dynamics, and other phenomena relevant to quantum information science. By bridging the gap between fundamental research and practical applications, solid-state NMR continues to play a crucial role in advancing our understanding of quantum materials and technologies.
Rapid developments in quantum information processing have been made, and remarkable achievements have been obtained in recent years, both in theory and experiments. Coherent control of nuclear spin dynamics is a powerful tool for the experimental implementation of quantum schemes in liquid and solid nuclear magnetic resonance (NMR) system, especially in liquid-state NMR. Compared with other quantum information processing systems, the NMR platform has the advantages such as the long coherence time, the precise manipulation, and well-developed quantum control techniques, which make it possible to accurately control a quantum system with up to 12-qubits. Extensive applications of liquid-state NMR spectroscopy in quantum information processing such as quantum communication, quantum computing, and quantum simulation have been thoroughly studied over half a century. This article introduces the general principles of NMR quantum information processing, and reviews the new-developed techniques. The review will also include the recent achievements of the experimental realization of quantum algorithms for machine learning, quantum simulations for high energy physics, and topological order in NMR. We also discuss the limitation and prospect of liquid-state NMR spectroscopy and the solid-state NMR systems as quantum computing in the article.
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.
Nuclear magnetic resonance (NMR) spectroscopy has proven to be a facile means of achieving small-scale demonstrations of quantum information processing. This was in large part made possible by the sophisticated methods of quantum control that have been developed by the NMR community over a span of more than 50 years. The traditional control methods, already perhaps the most complex examples of open-loop control available, were nevertheless designed primarily to assist in identifying the physical parameters of the underlying spin system, rather than to control the system with high precision. We have therefore extended the traditional methods in a variety of ways so as to achieve precise control, by taking advantage of prior knowledge of the physical parameters as determined by traditional methods. Due to the experimental challenges of real-time control, these developments relied upon our ability to simulate the evolution of the system under the action of radio-frequency control fields with essentially arbitrary precision, subject only to the available computing power. This talk presents an overview of our work in quantum control together with some of the on-going challenges still facing us
Fifty years of developments in nuclear magnetic resonance (NMR) have resulted in an unrivaled degree of control of the dynamics of coupled two-level quantum systems. This coherent control of nuclear spin dynamics has recently been taken to a new level, motivated by the interest in quantum information processing. NMR has been the workhorse for the experimental implementation of quantum protocols, allowing exquisite control of systems up to seven qubits in size. This article surveys and summarizes a broad variety of pulse control and tomographic techniques which have been developed for, and used in, NMR quantum computation. Many of these will be useful in other quantum systems now being considered for the implementation of quantum information processing tasks.
In the last 20 years, there have been lots of novel developments and remarkable achievements in quantum information processing theoretically and experimentally. Among them, the coherent control of nuclear spin dynamics is a powerful tool for the experimental implementation of quantum schemes in liquid and solid nuclear magnetic resonance (NMR) system, especially in liquid-state NMR. Compared with other quantum information processing systems, NMR platform has many advantages such as the long coherence time, the precise manipulation and well-developed quantum control techniques, which make it possible to accurately control a quantum system with up to 12-qubits. Extensive applications of liquid-state NMR spectroscopy in quantum information processing such as quantum communication, quantum computing and quantum simulation have been thoroughly studied over half a century. There are also many outstanding researches in the recent several years. So we focus on the recent researches in this review article. First, we introduce the basic principle of the liquid-state NMR quantum computing and two new methods reported in the pseudo-pure state preparation which has more advantages than the traditional methods. The quantum noise-injection methods and the quantum tomography technology in liquid-state NMR are also mentioned. Then we overview Horrow-Hassidim-Lioyd algorithm, quantum support vector machine algorithm, duality quantum computing and their implementations in liquid-state NMR system. Also, we report recent researches about quantum simulations, including quantum tunneling, high-energy physics and topological sequences. Then we display the quantum cloud platform of our group. In order to let more people, either amateurs or professionals, embrace and more importantly participate in the tidal wave of quantum science, we launch our NMR quantum cloud computing (NMRCloudQ) service. Through NMRCloudQ, we offer a direct access to a real, physical spectrometer in our laboratory and encourage users to explore quantum phenomena and demonstrate quantum algorithms. Finally, we discuss the development prospects and development bottlenecks of NMR, and point out the prospects for the future development direction.