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Control theory & applications

Manipulation technology and system control theory in quantum molecular dynamics

Shuang Cong

Published Jan 1, 2010• 0 citations
OpenAlex

Abstract

We give a review on the development of quantum manipulation techniques in molecular dynamics and their technological classification and effectiveness.The analysis and comparison are based on the principles of technologies and the characteristics of implementation.The topics include the π pulse dynamics and interference path control schemes in frequency domain,and the laser pulse shaping technology.The macroscopic control theories of molecular dynamic control are also discussed and evaluated,which includes system modeling,analysis and synthesis,geometric control,control of unitary evolution matrix,quantum optimal control theory,quantum control methods based on Lyapunov method.The paper provides a panorama of the quantum manipulation techniques and the applications of control theory in molecular dynamics.

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We give a review on the development of quantum manipulation techniques in molecular dynamics and their technological classification and effectiveness.The analysis and comparison are based on the principles of technologies and the characteristics of implementation.The topics include the π pulse dynamics and interference path control schemes in frequency domain,and the laser pulse shaping technology.The macroscopic control theories of molecular dynamic control are also discussed and evaluated,which includes system modeling,analysis and synthesis,geometric control,control of unitary evolution matrix,quantum optimal control theory,quantum control methods based on Lyapunov method.The paper provides a panorama of the quantum manipulation techniques and the applications of control theory in molecular dynamics.
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Quantum control refers to our ability to manipulate quantum systems. This tutorial-style chapter focuses on the use of classical electromagnetic fields to steer the system dynamics. In this approach, the quantum nature of the control stems solely from the underlying dynamics, through the exploitation of destructive and constructive interference to reach the control target. We first discuss two basic control principles -- coherent control which uses manipulation in frequency or time to design these interferences, and adiabatic following where access to the control target is enabled by tracking the time-dependent ground state. For complex control targets and system dynamics that exceed the scope of these basic principles, optimal control theory provides a powerful suite of tools to design the necessary protocols. A key consideration for the successful application of optimal control theory is a proper choice of the optimization functional. All concepts are illustrated using recent work from my research group, with a focus on controlling atoms and superconducting qubits. The chapter concludes with an outlook on integrating coherent control with engineered dissipation and a discussion of open questions in the field.
Quantum control is concerned with active manipulation of physical and chemical processes on the atomic and molecular scale. This work presents a perspective of progress in the field of control over quantum phenomena, tracing the evolution of theoretical concepts and experimental methods from early developments to the most recent advances. Among numerous theoretical insights and technological improvements that produced the present state-of-the-art in quantum control, there have been several breakthroughs of foremost importance. On the technology side, the current experimental successes would be impossible without the development of intense femtosecond laser sources and pulse shapers. On the theory side, the two most critical insights were (i) realizing that ultrafast atomic and molecular dynamics can be controlled via manipulation of quantum interferences and (ii) understanding that optimally shaped ultrafast laser pulses are the most effective means for producing the desired quantum interference patterns in the controlled system. Finally, these theoretical and experimental advances were brought together by the crucial concept of adaptive feedback control (AFC), which is a laboratory procedure employing measurement-driven, closed-loop optimization to identify the best shapes of femtosecond laser control pulses for steering quantum dynamics towards the desired objective. Optimization in AFC experiments is guided by a learning algorithm, with stochastic methods proving to be especially effective. AFC of quantum phenomena has found numerous applications in many areas of the physical and chemical sciences, and this paper reviews the extensive experiments. Other subjects discussed include quantum optimal control theory, quantum control landscapes, the role of theoretical control designs in experimental realizations and real-time quantum feedback control. The paper concludes with a perspective of open research directions that are likely to attract significant attention in the future.
In this article, we present an overview of theory and technique for optimal control of molecular dynamics using tailored light fields. The goal of this research is to design an optical field, which can drive a system to a desired target state with a fairly high probability and low power expenditure. For the laboratory implementation of the designed field, it is desirable that it has simple frequency structure and that the control outcome is robust in the presence of noise which will always accompany the field. The ability of the control field to cooperate with noise in the manipulation of quantum dynamics is also discussed.
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.
Coherent-optical-control schemes exploit the coherence of laser pulses to change the phases of interfering dynamical pathways and manipulate dynamical processes. These active control methods are closely related to dynamical decoupling techniques, popularized in the field of quantum information. Inspired by nuclear magnetic resonance spectroscopy, dynamical decoupling methods apply sequences of unitary operations to modify the interference phenomena responsible for the system dynamics thus also belonging to the general class of coherent-control techniques. This article reviews related developments in the fields of coherent optical control and dynamical decoupling, emphasizing the control of tunneling and decoherence in general model systems. Considering recent experimental breakthroughs in the demonstration of active control of a variety of systems, we anticipate that the reviewed coherent-control scenarios and dynamical-decoupling methods should raise significant experimental interest.