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IEEE Conference on Decision and Control (CDC)

Optimal ensemble control of open quantum systems with a pseudospectral method

Justin Ruths, Shin Li

Published Dec 1, 2010• 9 citations
Publisher

Abstract

In this paper, we extend our previous results concerning the application of the Legendre pseudospectral method to optimal pulse design problems for open quantum systems. We now consider the more realistic case in which systems are characterized by variations in parameter values, such as relaxation rates and coupling constants. Such dispersions in system parameters motivate us to consider an ensemble of systems, each member distinct due to distinct parameter values. We demonstrate the method with systems from nuclear magnetic resonance (NMR) spectroscopy in liquid. In particular, we highlight the flexibility and robustness of the pseudospectral method approach by developing pulses that minimize the energy or total duration of the pulse sequence.

DOI
10.1109/cdc.2010.5717100

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In this paper, we extend our previous results concerning the application of the Legendre pseudospectral method to optimal pulse design problems for open quantum systems. We now consider the more realistic case in which systems are characterized by variations in parameter values, such as relaxation rates and coupling constants. Such dispersions in system parameters motivate us to consider an ensemble of systems, each member distinct due to distinct parameter values. We demonstrate the method with systems from nuclear magnetic resonance (NMR) spectroscopy in liquid. In particular, we highlight the flexibility and robustness of the pseudospectral method approach by developing pulses that minimize the energy or total duration of the pulse sequence.
In this paper, we present a unified computational method based on pseudospectral approximations for the design of optimal pulse sequences in open quantum systems. The proposed method transforms the problem of optimal pulse design, which is formulated as a continuous-time optimal control problem, to a finite-dimensional constrained nonlinear programming problem. This resulting optimization problem can then be solved using existing numerical optimization suites. We apply the Legendre pseudospectral method to a series of optimal control problems on open quantum systems that arise in nuclear magnetic resonance spectroscopy in liquids. These problems have been well studied in previous literature and analytical optimal controls have been found. We find an excellent agreement between the maximum transfer efficiency produced by our computational method and the analytical expressions. Moreover, our method permits us to extend the analysis and address practical concerns, including smoothing discontinuous controls as well as deriving minimum-energy and time-optimal controls. The method is not restricted to the systems studied in this article and is applicable to optimal manipulation of both closed and open quantum systems.
In our previous work, we have shown that the pseudospectral method is an effective and flexible computation scheme for deriving pulses for optimal control of quantum systems. In practice, however, quantum systems often exhibit variation in the parameters that characterize the system dynamics. This leads us to consider the control of an ensemble (or continuum) of quantum systems indexed by the system parameters that show variation. We cast the design of pulses as an optimal ensemble control problem and demonstrate a multidimensional pseudospectral method with several challenging examples of both closed and open quantum systems from nuclear magnetic resonance spectroscopy in liquid. We give particular attention to the ability to derive experimentally viable pulses of minimum energy or duration.
Many key aspects of control of quantum systems involve manipulating a large quantum ensemble exhibiting variation in the value of parameters characterizing the system dynamics. Developing electromagnetic pulses to produce a desired evolution in the presence of such variation is a fundamental and challenging problem in this research area. We present such robust pulse designs as an optimal control problem of a continuum of bilinear systems with a common control function. We map this control problem of infinite dimension to a problem of polynomial approximation employing tools from geometric control theory. We then adopt this new notion and develop a unified computational method for optimal pulse design using ideas from pseudospectral approximations, by which a continuous-time optimal control problem of pulse design can be discretized to a constrained optimization problem with spectral accuracy. Furthermore, this is a highly flexible and efficient numerical method that requires low order of discretization and yields inherently smooth solutions. We demonstrate this method by designing effective broadband π/2 and π pulses with reduced rf energy and pulse duration, which show significant sensitivity enhancement at the edge of the spectrum over conventional pulses in 1D and 2D NMR spectroscopy experiments.
Inhomogeneity, in its many forms, appears frequently in practical physical systems. Readily apparent in quantum systems, inhomogeneity is caused by hardware imperfections, measurement inaccuracies, and environmental variations, and subsequently limits the performance and efficiency achievable in current experiments. In this paper, we provide a systematic methodology to mathematically characterize and optimally manipulate inhomogeneous ensembles with concepts taken from ensemble control. In particular, we develop a computational method to solve practical quantum pulse design problems cast as optimal ensemble control problems, based on multidimensional pseudospectral approximations. We motivate the utility of this method by designing pulses for both standard and novel applications. We also show the convergence of the pseudospectral method for optimal ensemble control. The concepts developed here are applicable beyond quantum control, such as to neuron systems, and furthermore to systems with by parameter uncertainty, which pervade all areas of science and engineering.
Inhomogeneity, in its many forms, appears frequently in practical physical systems. Readily apparent in quantum systems, inhomogeneity is caused by hardware imperfections, measurement inaccuracies, and environmental variations, and subsequently limits the performance and efficiency achievable in current experiments. In this paper, we provide a systematic methodology to mathematically characterize and optimally manipulate inhomogeneous ensembles with concepts taken from ensemble control. In particular, we develop a computational method to solve practical quantum pulse design problems cast as optimal ensemble control problems, based on multidimensional pseudospectral approximations. We motivate the utility of this method by designing pulses for both standard and novel applications. We also show the convergence of the pseudospectral method for optimal ensemble control. The concepts developed here are applicable beyond quantum control, such as to neuron systems, and furthermore to systems with by parameter uncertainty, which pervade all areas of science and engineering.
Experiments in coherent spectroscopy correspond to control of quantum mechanical ensemble guiding them from initial to final target states. The control inputs (pulse sequences) that accomplish these transformations should be designed to minimize the effects of relaxation and to optimize the sensitivity of the experiments. For example in nuclear magnetic resonance (NMR) spectroscopy, a question of fundamental importance is what is the maximum efficiency of coherence or polarization transfer between two spins in the presence of relaxation. Furthermore what is the optimal pulse sequence which achieves this efficiency? This manuscript extends our previous work in the above problems. Here, we take into account both the longitudinal and the transverse relaxation mechanisms, thus generalizing our previous results, where the former had been neglected.