Open Quantum Dynamics Research Articles

Open quantum dynamics with variational non-Gaussian states and the truncated Wigner approximation.

We present a framework for simulating the open dynamics of spin-boson systems by combining variational non-Gaussian states with a quantum trajectories approach. We apply this method to a generic spin-boson Hamiltonian that has both Tavis-Cummings and Holstein type couplings and which has broad applications to a variety of quantum simulation platforms, polaritonic physics, and quantum chemistry. Additionally, we discuss how the recently developed truncated Wigner approximation for open quantum systems can be applied to the same Hamiltonian. We benchmark the performance of both methods and identify the regimes where each method is best suited. Finally, we discuss strategies to improve each technique.

Dynamical maps for accelerating detectors

We study the open quantum dynamics using the language of dynamical maps of a two-level particle detector that starts accelerating through Minkowski vacuum weakly coupled to a massless scalar field. We consider a detector with non-zero size and study its time evolution for the case where it is initially in inertial motion and subsequently a constant acceleration is switched on for a finite time. We study the dynamical maps that describe the evolution of such a system and show that the dynamics is not completely positive (NCP). The inertial motion prior to the acceleration can entangle the detector and field leading to the NCP dynamics. We examine the nature of the open dynamics during the accelerated phase as a function of the duration of prior inertial motion and the magnitude of the acceleration.

Spectral densities, structured noise and ensemble averaging within open quantum dynamics.

Although recent advances in simulating open quantum systems have led to significant progress, the applicability of numerically exact methods is still restricted to rather small systems. Hence, more approximate methods remain relevant due to their computational efficiency, enabling simulations of larger systems over extended timescales. In this study, we present advances for one such method, namely, the numerical integration of Schrödinger equation (NISE). First, we introduce a modified ensemble-averaging procedure that improves the long-time behavior of the thermalized variant of the NISE scheme, termed thermalized NISE. Second, we demonstrate how to use the NISE in conjunction with (highly) structured spectral densities by utilizing a noise generating algorithm for arbitrary structured noise. This algorithm also serves as a tool for establishing best practices in determining spectral densities from excited state calculations along molecular dynamics or quantum mechanics/molecular mechanics trajectories. Finally, we assess the ability of the NISE approach to calculate absorption spectra and demonstrate the utility of the proposed modifications by determining population dynamics.

Mpsqd: A matrix product state based Python package to simulate closed and open system quantum dynamics.

We introduce a Python package based on matrix product states (MPS) to simulate both the time-dependent Schrödinger equation (TDSE) and the hierarchical equations of motion (HEOM). The wave function in the TDSE or the reduced density operator/auxiliary density operators in the HEOM are represented using MPS. A matrix product operator (MPO) is then constructed to represent the Hamiltonian in the TDSE or the generalized Liouvillian in the HEOM. The fourth-order Runge-Kutta method and the time-dependent variational principle are used to propagate the MPS. Several examples, including the nonadiabatic interconversion dynamics of the pyrazine molecule, excitation energy transfer dynamics in molecular aggregates and photosynthetic light-harvesting complexes, the spin-boson model, a laser driven two-state model, the Holstein model, and charge transport in the Anderson impurity model, are presented to demonstrate the capability of the package.

Tradeoff relations in open quantum dynamics via Robertson, Maccone–Pati, and Robertson–Schrödinger uncertainty relations

Abstract The Heisenberg uncertainty relation, together with Robertson’s generalisation, serves as a fundamental concept in quantum mechanics, showing that noncommutative pairs of observables cannot be measured precisely. In this study, we explore the Robertson-type uncertainty relations to demonstrate their effectiveness in establishing a series of thermodynamic uncertainty relations and quantum speed limits in open quantum dynamics. The derivation utilises a scaled continuous matrix product state representation that maps the time evolution of the quantum continuous measurement to the time evolution of the system and field. Specifically, we consider the Maccone–Pati uncertainty relation, a refinement of the Robertson uncertainty relation, to derive thermodynamic uncertainty relations and quantum speed limits. These newly derived relations, which use a state orthogonal to the initial state, yield bounds that are tighter than previously known bounds. Moreover, we consider the Robertson–Schrödinger uncertainty, which extends the Robertson uncertainty relation. Our findings not only reinforce the significance of the Robertson-type uncertainty relations, but also expand its applicability in identifying uncertainty relations in open quantum dynamics.

Toward quantum simulation of non-Markovian open quantum dynamics: A universal and compact theory

Toward quantum simulation of non-Markovian open quantum dynamics: A universal and compact theory

Unified framework for open quantum dynamics with memory

The dynamics of quantum systems coupled to baths are typically studied using the Nakajima-Zwanzig memory kernel (K\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$${{{\\bf{{{{\\mathcal{K}}}}}}}}$$\\end{document}) or the influence functions (I), particularly when memory effects are present. Despite their significance, formal connections between the two have not been explicitly known. We establish their connections by examining the system propagator for a N-level system linearly coupled to Gaussian baths with various types of system-bath coupling. For a certain class of problems, we devised a non-perturbative, diagrammatic approach to construct K\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$${{{\\bf{{{{\\mathcal{K}}}}}}}}$$\\end{document} from I for (driven) systems interacting with Gaussian baths, bypassing conventional projection-free dynamics inputs. Our work provides a way to interpret approximate path integral methods in terms of approximate memory kernels. Moreover, it offers a Hamiltonian learning procedure to extract the bath spectral density from reduced system trajectories, opening new avenues in quantum sensing and engineering. The insights we provide advance our understanding of non-Markovian dynamics and will serve as a stepping stone for future theoretical and experimental developments in this area.

Quantum neural network approach to Markovian dissipative dynamics of many-body open quantum systems.

Numerous variational methods have been proposed for solving quantum many-body systems, but they often face exponentially increasing computational complexity as the Hilbert space dimension grows. To address this, we introduce a novel approach using quantum neural networks to simulate the dissipative dynamics of many-body open quantum systems. This method combines neural-network quantum state representation with the time-dependent variational principle, both implemented via quantum algorithms. This results in accurate open quantum dynamics described by the Lindblad quantum master equation, exemplified by the spin-boson and transverse field Ising models. Our approach avoids the computational expense of classical algorithms and demonstrates the potential advantages of quantum computing for many-body simulations. To reduce measurement errors, we introduce a projection reset procedure, which could benefit other quantum simulations. In addition, our approach can be extended to simulate non-Markovian quantum dynamics.

Quantum Tensor-Product Decomposition from Choi-State Tomography

The Schmidt decomposition is the go-to tool for measuring bipartite entanglement of pure quantum states. Similarly, it is possible to study the entangling features of a quantum operation using its operator-Schmidt or tensor-product decomposition. While quantum technological implementations of the former are thoroughly studied, entangling properties on the operator level are harder to extract in the quantum computational framework because of the exponential nature of sample complexity. Here, we present an algorithm for unbalanced partitions into a small subsystem and a large one (the environment) to compute the tensor-product decomposition of a unitary the effect of which on the small subsystem is captured in classical memory, while the effect on the environment is accessible as a quantum resource. This quantum algorithm may be used to make predictions about operator nonlocality and effective open quantum dynamics on a subsystem, as well as for finding low-rank approximations and low-depth compilations of quantum circuit unitaries. We demonstrate the method and its applications on a time-evolution unitary of an isotropic Heisenberg model in two dimensions. Published by the American Physical Society 2024

One-dimensional continuous-time quantum Markov chains: qubit probabilities and measures

Quantum Markov chains (QMCs) are positive maps on a trace-class space describing open quantum dynamics on graphs. Such objects have a statistical resemblance with classical random walks, while at the same time they allow for internal (quantum) degrees of freedom. In this work we study continuous-time QMCs on the integer line, half-line and finite segments, so that we are able to obtain exact probability calculations in terms of the associated matrix-valued orthogonal polynomials and measures. The methods employed here are applicable to a wide range of settings, but we will restrict ourselves to classes of examples for which the Lindblad generators are induced by a single positive map, and such that the Stieltjes transforms of the measures and their inverses can be calculated explicitly.

Large Deviation Full Counting Statistics in Adiabatic Open Quantum Dynamics.

The state of an open quantum system undergoing an adiabatic process evolves by following the instantaneous stationary state of its time-dependent generator. This observation allows one to characterize, for a generic adiabatic evolution, the average dynamics of the open system. However, information about fluctuations of dynamical observables, such as the number of photons emitted or the time-integrated stochastic entropy production in single experimental runs, requires controlling the whole spectrum of the generator and not only the stationary state. Here, we show how such information can be obtained in adiabatic open quantum dynamics by exploiting tools from large deviation theory. We prove an adiabatic theorem for deformed generators, which allows us to encode, in a biased quantum state, the full counting statistics of generic time-integrated dynamical observables. We further compute the probability associated with an arbitrary "rare" time history of the observable and derive a dynamics which realizes it in its typical behavior. Our results provide a way to characterize and engineer adiabatic open quantum dynamics and to control their fluctuations.

Impact of dephasing probes on incommensurate lattices

We investigate open quantum dynamics for a one-dimensional incommensurate Aubry–André–Harper lattice chain, a part of which is initially filled with electrons and is further connected to dephasing probes at the filled lattice sites. This setup is akin to a step-initial configuration where the non-zero part of the step is subjected to dephasing. We investigate the quantum dynamics of local electron density, the scaling of the density front as a function of time both inside and outside of the initial step, and the growth of the total number of electrons outside the step. We analyze these quantities in all three regimes, namely, the de-localized, critical, and localized phases of the underlying lattice. Outside the initial step, we observe that the density front spreads according to the underlying nature of single-particle states of the lattice, for both the de-localized and critical phases. For the localized phase, the spread of the density front hints at a logarithmic behavior in time that has no parallel in the isolated case (i.e. in the absence of probes). Inside the initial step, due to the presence of the probes, the density front spreads in a diffusive manner for all the phases. This combination of rich and different dynamical behavior, outside and inside the initial step, results in the emergence of mixed dynamical phases. While the total occupation of electrons remains conserved, the value outside or inside the initial step turns out to have a rich dynamical behavior. Our work is widely adaptable and has interesting consequences when disordered/quasi-disordered systems are subjected to a thermodynamically large number of probes.

Bexcitonics: Quasiparticle approach to open quantum dynamics.

We develop a quasiparticle approach to capture the dynamics of open quantum systems coupled to bosonic thermal baths of arbitrary complexity based on the Hierarchical Equations of Motion (HEOM). This is done by generalizing the HEOM dynamics and mapping it into that of the system in interaction with a few bosonic fictitious quasiparticles that we call bexcitons. Bexcitons arise from a decomposition of the bath correlation function into discrete features. Specifically, bexciton creation and annihilation couple the auxiliary density matrices in the HEOM. The approach provides a systematic strategy to construct exact quantum master equations that include the system-bath coupling to all orders even for non-Markovian environments. Specifically, by introducing different metrics and representations for the bexcitons it is possible to straightforwardly generate different variants of the HEOM, demonstrating that all these variants share a common underlying quasiparticle picture. Bexcitonic properties, while unphysical, offer a coarse-grained view of the correlated system-bath dynamics and its numerical convergence. For instance, we use it to analyze the instability of the HEOM when the bath is composed of underdamped oscillators and show that it leads to the creation of highly excited bexcitons. The bexcitonic picture can also be used to develop more efficient approaches to propagate the HEOM. As an example, we use the particle-like nature of the bexcitons to introduce mode-combination of bexcitons in both number and coordinate representation that uses the multi-configuration time-dependent Hartree to efficiently propagate the HEOM dynamics.

Dynamics of a Quantum System Interacting with White Non-Gaussian Baths: Poisson Noise Master Equation.

Quantum systems are unavoidably open to their surrounding degrees of freedom. The theory of open quantum systems is thus crucial to understanding the fluctuations, dissipation, and decoherence of a quantum system of interest. Typically, the bath is modeled as an ensemble of harmonic oscillators, which yields Gaussian statistics of the bath influence on the quantum systems. However, there are also phenomena in which the bath consists of two-state systems, spins, or anharmonic oscillators; therefore, the non-Gaussian properties of the bath become important. Nevertheless, a theoretical framework to describe quantum systems under the influence of such non-Gaussian baths is not well established. Here, we develop a theory to describe quantum dissipative systems affected by Poisson noise properties of the bath, because the Lévi-Itô decomposition theorem asserts that Poisson noise is fundamental in describing arbitrary white noise beyond Gaussian properties. We introduce a quantum bath model that allows for the consistent description of dissipative quantum systems. The obtained master equation reveals non-Gaussian bath effects in the white noise regime, and provides an essential step toward describing open quantum dynamics under the influence of generic baths.

Universal and nonuniversal probability laws in Markovian open quantum dynamics subject to generalized reset processes.

We consider quantum-jump trajectories of Markovian open quantum systems subject to stochastic in time resets of their state to an initial configuration. The reset events provide a partitioning of quantum trajectories into consecutive time intervals, defining sequences of random variables from the values of a trajectory observable within each of the intervals. For observables related to functions of the quantum state, we show that the probability of certain orderings in the sequences obeys a universal law. This law does not depend on the chosen observable and, in the case of Poissonian reset processes, not even on the details of the dynamics. When considering (discrete) observables associated with the counting of quantum jumps, the probabilities in general lose their universal character. Universality is only recovered in cases when the probability of observing equal outcomes in the same sequence is vanishingly small, which we can achieve in a weak-reset-rate limit. Our results extend previous findings on classical stochastic processes [N. R. Smith et al., Europhys. Lett. 142, 51002 (2023)0295-507510.1209/0295-5075/acd79e] to the quantum domain and to state-dependent reset processes, shedding light on relevant aspects for the emergence of universal probability laws.

Light cones for open quantum systems in the continuum

We consider Markovian open quantum dynamics (MOQD) in the continuum. We show that, up to small-probability tails, the supports of quantum states evolving under such dynamics propagate with finite speed in any finite-energy subspace. More precisely, we prove that if the initial quantum state is localized in space, then any finite-energy part of the solution of the von Neumann–Lindblad equation is approximately localized inside an energy-dependent light cone. We also obtain an explicit upper bound for the slope of this light cone.

Theory of metastability in discrete-time open quantum dynamics

Theory of metastability in discrete-time open quantum dynamics

Simple and General Unitarity Conserving Numerical Real-Time Propagators of the Time-Dependent Schrödinger Equation Based on Magnus Expansion.

Magnus expansion (ME) provides a general way to expand the real-time propagator of a time-dependent Hamiltonian within the exponential such that the unitarity is satisfied at any order. We use this property and explicit integration of Lagrange interpolation formulas for the time-dependent Hamiltonian within each time interval and derive approximations that preserve unitarity for the differential time evolution operators of general time-dependent Hamiltonians. The resulting second-order approximation is the same as using the average of Hamiltonians for two end points of time. We identify three fourth-order approximations involving commutators of Hamiltonians at different times and also derive a sixth-order expression. A test of these approximations along with other available expressions for a two-state time-dependent Hamiltonian with sinusoidal time dependences provides information on the relative performance of these approximations and suggests that the derived expressions can serve as useful numerical tools for time evolution in time-resolved spectroscopy, quantum control, quantum sensing, real-time ab initio quantum dynamics, and open system quantum dynamics.

Incorporation of Empirical Gain and Loss Mechanisms in Open Quantum Systems through Path Integral Lindblad Dynamics.

Path integrals offer a robust approach for simulating open quantum dynamics with advancements transcending initial system size limitations. However, accurately modeling systems governed by mechanisms that do not conserve the number of quantum particles, such as lossy cavity modes, remains a challenge. We present a method to incorporate such empirical source and drain mechanisms within a path integral framework using quantum master equations. This technique facilitates rigorous inclusion of bath degrees of freedom while accommodating empirical time scales via Lindbladian dynamics. Computational costs are primarily driven by the path integral method with minimal overhead from Lindbladian terms. We use it to study exciton transport in a four-site Fenna-Matthews-Olson model, examining the potential loss of the exciton to the reaction center. This path integral Lindblad method promises an enhanced ability to simulate dynamics and will be fundamental to simulation of spectra in diverse quantum processes in open systems.

Numerical simulation of large-scale nonlinear open quantum mechanics

We introduce a method to solve nonlinear open quantum dynamics of a particle in situations where its state undergoes significant expansion in phase space while generating small quantum features at the phase-space Planck scale. Our approach involves simulating two steps. First, we transform the Wigner function into a time-dependent frame that leverages information from the classical trajectory to efficiently represent the quantum state in phase space. Next, we simulate the dynamics in this frame using a numerical method that implements this time-dependent nonlinear change of variables. To demonstrate the capabilities of our method, we examine the open quantum dynamics of a particle evolving in a one-dimensional weak quartic potential after initially being ground-state cooled in a tight harmonic potential. This approach is particularly relevant to ongoing efforts to design, optimize, and understand experiments targeting the preparation of macroscopic quantum superposition states of massive particles through nonlinear quantum dynamics. Published by the American Physical Society 2024