Lukin, Illya V.; Sotnikov, Andrii G.; Leamer, Jacob M.; Magann, Alicia B.; Bondar, Denys I.
We present an expression for the spectral gap, opening up new possibilities for performing and accelerating spectral calculations of quantum many-body systems. We develop and demonstrate one such possibility in the context of tensor network simulations. Our approach requires only minor modifications of the widely used simple update method and is computationally lightweight relative to other approaches. We validate it by computing spectral gaps of the 2D and 3D transverse-field Ising models and find strong agreement with previously reported perturbation theory results.
Magann, Alicia B.; San Ho, Tak; Arenz, Christian; Rabitz, Herschel A.
The goal of quantum tracking control is to identify shaped fields to steer observable expectation values along designated time-dependent tracks. The fields are determined via an iteration-free procedure, which is based on inverting the underlying dynamical equations governing the controlled observables. In this paper, we generalize the ideas in [Phys. Rev. A 98, 043429 (2018)2469-992610.1103/PhysRevA.98.043429] to the task of orienting symmetric top molecules in three dimensions. To this end, we derive equations for the control fields capable of directly tracking the expected value of the three-dimensional dipole orientation vector along a desired path in time. We show this framework can be utilized for tracking the orientation of linear molecules as well, and present numerical illustrations of these principles for symmetric-top tracking control problems.
We develop an adaptive method for quantum state preparation that utilizes randomness as an essential component and that does not require classical optimization. Instead, a cost function is minimized to prepare a desired quantum state through an adaptively constructed quantum circuit, where each adaptive step is informed by feedback from gradient measurements in which the associated tangent space directions are randomized. We provide theoretical arguments and numerical evidence that convergence to the target state can be achieved for almost all initial states. We investigate different randomization procedures and develop lower bounds on the expected cost function change, which allows for drawing connections to barren plateaus and for assessing the applicability of the algorithm to large-scale problems.
Magann, Alicia B.; Mccaul, Gerard; Rabitz, Herschel A.; Bondar, Denys I.
The characterization of mixtures of non-interacting, spectroscopically similar quantum components has important applications in chemistry, biology, and materials science. We introduce an approach based on quantum tracking control that allows for determining the relative concentrations of constituents in a quantum mixture, using a single pulse which enhances the distinguishability of components of the mixture and has a length that scales linearly with the number of mixture constituents. To illustrate the method, we consider two very distinct model systems: mixtures of diatomic molecules in the gas phase, as well as solid-state materials composed of a mixture of components. A set of numerical analyses are presented, showing strong performance in both settings.
Optimally-shaped electromagnetic fields have the capacity to coherently control the dynamics of quantum systems and thus offer a promising means for controlling molecular transformations relevant to chemical, biological, and materials applications. Currently, advances in this area are hindered by the prohibitive cost of the quantum dynamics simulations needed to explore the principles and possibilities of molecular control. However, the emergence of nascent quantum-computing devices suggests that efficient simulations of quantum dynamics may be on the horizon. In this article, we study how quantum computers could be employed to design optimally-shaped fields to control molecular systems. We introduce a hybrid algorithm that utilizes a quantum computer for simulating the field-induced quantum dynamics of a molecular system in polynomial time, in combination with a classical optimization approach for updating the field. Qubit encoding methods relevant for molecular control problems are described, and procedures for simulating the quantum dynamics and obtaining the simulation results are discussed. Numerical illustrations are then presented that explicitly treat paradigmatic vibrational and rotational control problems, and also consider how optimally-shaped fields could be used to elucidate the mechanisms of energy transfer in light-harvesting complexes. Resource estimates, as well as a numerical assessment of the impact of hardware noise and the prospects of near-term hardware implementations, are provided for the latter task.
The last decade has witnessed remarkable progress in the development of quantum technologies. Although fault-tolerant devices likely remain years away, the noisy intermediate-scale quantum devices of today may be leveraged for other purposes. Leading candidates are variational quantum algorithms (VQAs), which have been developed for applications including chemistry, optimization, and machine learning, but whose implementations on quantum devices have yet to demonstrate improvements over classical capabilities. In this Perspective, we propose a variety of ways that the performance of VQAs could be informed by quantum optimal control theory. A major theme throughout is the need for sufficient control resources in VQA implementations; we discuss different ways this need can manifest, outline a variety of open questions, and look to the future.