Dynamics Of Open Quantum Systems Research Articles

Simulating the Landau-Zener sweep in deeply sub-Ohmic environments.

With the goal to study dissipative Landau-Zener (LZ) sweeps in realistic solid-state qubits, we utilize novel methods from non-Markovian open quantum system dynamics that enable reliable long-time simulations for sub-Ohmic environments. In particular, we combine a novel representation of the dynamical propagator, the uniform time evolving matrix product operator method, with a stochastic realization of finite temperature fluctuations. The latter greatly reduces the computational cost for the matrix product operator approach, enabling convergence in the experimentally relevant deeply sub-Ohmic regime. Our method allows the exact simulation of dynamical protocols with long operation times, such as the LZ sweep, in challenging parameter regimes that are realized in current experimental platforms.

Grassmann time-evolving matrix product operators: An efficient numerical approach for fermionic path integral simulations.

Developing numerical exact solvers for open quantum systems is a challenging task due to the non-perturbative and non-Markovian nature when coupling to structured environments. The Feynman-Vernon influence functional approach is a powerful analytical tool to study the dynamics of open quantum systems. Numerical treatments of the influence functional including the quasi-adiabatic propagator technique and the tensor-network-based time-evolving matrix product operator method have proven to be efficient in studying open quantum systems with bosonic environments. However, the numerical implementation of the fermionic path integral suffers from the Grassmann algebra involved. In this work, we present a detailed introduction to the Grassmann time-evolving matrix product operator method for fermionic open quantum systems. In particular, we introduce the concepts of Grassmann tensor, signed matrix product operator, and Grassmann matrix product state to handle the Grassmann path integral. Using the single-orbital Anderson impurity model as an example, we review the numerical benchmarks for structured fermionic environments for real-time nonequilibrium dynamics, real-time and imaginary-time equilibration dynamics, and its application as an impurity solver. These benchmarks show that our method is a robust and promising numerical approach to study strong coupling physics and non-Markovian dynamics. It can also serve as an alternative impurity solver to study strongly correlated quantum matter with dynamical mean-field theory.

Trotterless Simulation of Open Quantum Systems for NISQ Quantum Devices

AbstractThe simulation of quantum systems is one of the flagship applications of near‐term NISQ (noisy intermediate‐scale quantum) computing devices. Efficiently simulating the rich, non‐unitary dynamics of open quantum systems remains challenging on NISQ hardware. Current simulation methods for open quantum systems employ time‐stepped Trotter product formulas (“Trotterization”) which can scale poorly with respect to the simulation time and system dimension. Here, a new simulation method is proposed based on the derivation of a time‐perturbative Kraus operator series representation of the system. A class of open quantum systems is identified for which this method produces circuits of time‐independent depth, which may serve as a desirable alternative to Trotterization, especially on NISQ devices.

Path-filtering in path-integral simulations of open quantum systems using GFlowNets.

An important class of methods for modeling dynamics in open quantum systems is based on the well-known influence functional (IF) approach to solving path-integral equations of motion. Within this paradigm, path-filtering schemes based on the removal of IF elements that fall below a certain threshold aim to reduce the effort needed to calculate and store the influence functional, making very challenging simulations possible. A filtering protocol of this type is considered acceptable as long as the simulation remains mathematically stable. This, however, does not guarantee that the approximated dynamics preserve the physics of the simulated process. In this paper, we explore the possibility of training Generative Flow Networks (GFlowNets) to produce filtering protocols while optimizing for mathematical stability and for physical accuracy. Trained using the trajectory balance objective, the model produces sets of paths to be added to a truncated initial set; it is rewarded if the combined set of paths gives rise to solutions in which the trace of the density matrix is conserved, the populations remain real, and the dynamics approach the exact reference. Using a simple two-level system coupled to a dissipative reservoir, we perform proof-of-concept simulations and demonstrate the elegant and surprising filtering solutions proposed by the GFlowNet.

Capturing non-Markovian polaron dressing with the master equation formalism.

Understanding the dynamics of open quantum systems in strong coupling and non-Markovian regimes remains a formidable theoretical challenge. One popular and well-established method of approximation in these circumstances is provided by the polaron master equation (PME). In this work, we re-evaluate and extend the validity of the PME to capture the impact of non-Markovian polaron dressing, induced by non-equilibrium open system dynamics. By comparing with numerically exact techniques, we confirm that while the standard PME successfully predicts the dynamics of system observables that commute with the polaron transformation (e.g., populations in the Pauli z-basis), it can struggle to fully capture those that do not (e.g., coherences). This limitation stems from the mixing of system and environment degrees of freedom inherent to the polaron transformation, which affects the accuracy of calculated expectation values within the polaron frame. Employing the Nakajima-Zwanzig projection operator formalism, we introduce correction terms that provide an accurate description of observables that do not commute with the transformation. We demonstrate the significance of the correction terms in two cases, the canonical spin-boson model and a dissipative time-dependent Landau-Zener protocol, where they are shown to impact the system dynamics on both short and long timescales.

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.

Positivity and Entanglement of Polynomial Gaussian Integral Operators

Abstract Positivity preservation is an important issue in the dynamics of open quantum systems: positivity violations always mark the border of validity of the model. We investigate the positivity of self-adjoint polynomial Gaussian integral operators $\widehat{\kappa }_{\operatorname{PG}}$; i.e. the multivariable kernel $\kappa _{\operatorname{PG}}$ is a product of a polynomial $P$ and a Gaussian kernel $\kappa _G$. These operators frequently appear in open quantum systems. We show that $\widehat{\kappa }_{\operatorname{PG}}$ can only be positive if the Gaussian part is positive, which yields a strong and quite easy test for positivity. This has an important corollary for the bipartite entanglement of the density operators $\widehat{\kappa }_{\operatorname{PG}}$: if the Gaussian density operator $\widehat{\kappa }_G$ fails the Peres–Horodecki criterion, then the corresponding polynomial Gaussian density operators $\widehat{\kappa }_{\operatorname{PG}}$ also fail the criterion for all $P$; hence they are all entangled. We prove that polynomial Gaussian operators with polynomials of odd degree cannot be positive semidefinite. We introduce a new preorder $\preceq$ on Gaussian kernels such that if $\kappa _{G_0}\preceq \kappa _{G_1}$ then $\widehat{\kappa }_{\operatorname{PG}_0}\ge 0$, implying that $\widehat{\kappa }_{\operatorname{PG}_1}\ge 0$ for all polynomials $P$. Therefore, deciding the positivity of a polynomial Gaussian operator determines the positivity of a lot of other polynomial Gaussian operators having the same polynomial factor, which might improve any given positivity test by carrying it out on a much larger set of operators. We will show an example that this really can make positivity tests much more sensitive and efficient. This preorder has implications for the entanglement problem, too.

Mixed-State Quantum Phases: Renormalization and Quantum Error Correction

Open system quantum dynamics can generate a variety of long-range entangled mixed states, yet it has been unclear in what sense they constitute phases of matter. To establish that two mixed states are in the same phase, as defined by their two-way connectivity via local quantum channels, we use the renormalization group (RG) and decoders of quantum error correcting codes. We introduce a real-space RG scheme for mixed states based on local channels which ideally preserve correlations with the complementary system, and we prove this is equivalent to the reversibility of the channel’s action. As an application, we demonstrate an exact RG flow of finite temperature toric code in two dimensions to infinite temperature, thus proving it is in the trivial phase. In contrast, for toric code subject to local dephasing, we establish a mixed-state toric code phase using local channels obtained by truncating an RG-type decoder and the minimum weight perfect matching decoder. We also discover a precise relation between mixed-state phase and decodability, by proving that local noise acting on toric code cannot destroy logical information without bringing the state out of the toric code phase. Published by the American Physical Society 2024

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 nature of reactivity modification in vibrational polariton chemistry.

In this work, we present a mixed quantum-classical open quantum system dynamics method for studying rate modifications of ground-state chemical reactions in an optical cavity under vibrational strong-coupling conditions. In this approach, the cavity radiation mode is treated classically with a mean-field nuclear force averaging over the remaining degrees of freedom, both within the system and the environment, which are handled quantum mechanically within the hierarchical equations of motion framework. Using this approach, we conduct a comparative analysis by juxtaposing the mixed quantum-classical results with fully quantum-mechanical simulations. After eliminating spurious peaks that can occur when not using the rigorous definition of the rate constant, we confirm the crucial role of the quantum nature of the cavity radiation mode in reproducing the resonant peak observed in the cavity frequency-dependent rate profile. In other words, it appears necessary to explicitly consider the quantized photonic states in studying reactivity modification in vibrational polariton chemistry (at least for the model systems studied in this work), as these phenomena stem from cavity-induced reaction pathways involving resonant energy exchanges between photons and molecular vibrational transitions.

From stochastic Hamiltonian to quantum simulation: exploring memory effects in exciton dynamics

The unraveling of open quantum system dynamics in terms of stochastic quantum trajectories offers a picture of open system dynamics that consistently considers memory effects stemming from the finite correlation time of environment fluctuations. These fluctuations significantly influence the coherence and energy transport properties of excitonic systems. When their correlation time is comparable to the timescale of the Hamiltonian evolution, it leads to the departure of open system dynamics from the Markovian limit. In this work, we leverage the unraveling of exciton dynamics through stochastic Hamiltonian propagators to design quantum circuits that simulate exciton transport, capturing finite memory effects. In addition to enabling the synthesis of parametrizable quantum circuits, stochastic unitary propagators provide a transparent framework for investigating non-Markovian effects on exciton transport. Our analysis reveals a nuanced relationship between environment correlation time and transport efficiency, identifying a regime of ‘memory-assisted’ quantum transport where time-correlated fluctuations allow the system to reach higher efficiency. However, this property is not universal and can only be realized in conjunction with specific features of the system Hamiltonian.

Quantum fluctuation dynamics of open quantum systems with collective operator-valued rates, and applications to Hopfield-like networks

We consider a class of open quantum many-body systems that evolves in a Markovian fashion, the dynamical generator being in GKS-Lindblad form. Here, the Hamiltonian contribution is characterized by an all-to-all coupling, and the dissipation features local transitions that depend on collective, operator-valued rates, encoding average properties of the system. These types of generators can be formally obtained by generalizing, to the quantum realm, classical (mean-field) stochastic Markov dynamics, with state-dependent transitions. Focusing on the dynamics emerging in the limit of infinitely large systems, we build on the exactness of the mean-field equations for the dynamics of average operators. In this framework, we derive the dynamics of quantum fluctuation operators, that can be used in turn to understand the fate of quantum correlations in the system. We then apply our results to quantum generalized Hopfield associative memories. Here we show that, asymptotically and at the description level of quantum fluctuations, only a very weak amount of quantum correlations, in the form of quantum discord, emerges beyond classical correlations.

Critical non-Hermitian topology induced quantum sensing

Non-Hermitian (NH) physics predicts open quantum system dynamics with unique topological features such as exceptional points and the NH skin effect. We show that this new paradigm of topological systems can serve as probes for bulk Hamiltonian parameters with quantum-enhanced sensitivity reaching Heisenberg scaling. Such enhancement occurs close to a spectral topological phase transition, where the entire spectrum undergoes a delocalization transition. We provide an explanation for this enhanced sensitivity based on the closing of point gap, which is a genuinely NH energy gap with no Hermitian counterpart. This establishes a direct connection between energy-gap closing and quantum enhancement in the NH realm. Our findings are demonstrated through several paradigmatic NH topological models in various dimensions and potential experimental implementations.

Bath-induced interactions and transient dynamics in open quantum systems at strong coupling: Effective Hamiltonian approach.

Understanding the dynamics of dissipative quantum systems, particularly beyond the weak coupling approximation, is central to various quantum applications. While numerically exact methods provide accurate solutions, they often lack the analytical insight provided by theoretical approaches. In this study, we employ the recently developed method dubbed the effective Hamiltonian theory to understand the dynamics of system-bath configurations without resorting to a perturbative description of the system-bath coupling energy. Through a combination of mapping steps and truncation, the effective Hamiltonian theory offers both analytical insights into signatures of strong couplings in open quantum systems and a straightforward path for numerical simulations. To validate the accuracy of the method, we apply it to two canonical models: a single spin immersed in a bosonic bath and two noninteracting spins in a common bath. In both cases, we study the transient regime and the steady state limit at nonzero temperature and spanning system-bath interactions from the weak to the strong regime. By comparing the results of the effective Hamiltonian theory with numerically exact simulations, we show that although the former overlooks non-Markovian features in the transient equilibration dynamics, it correctly captures non-perturbative bath-generated couplings between otherwise non-interacting spins, as observed in their synchronization dynamics and correlations. Altogether, the effective Hamiltonian theory offers a powerful approach for understanding strong coupling dynamics and thermodynamics, capturing the signatures of such interactions in both relaxation dynamics and in the steady state limit.

General framework for quantifying dissipation pathways in open quantum systems. I. Theoretical formulation.

We present a general and practical theoretical framework to investigate how energy is dissipated in open quantum system dynamics. This is performed by quantifying the contributions of individual bath components to the overall dissipation of the system. The framework is based on the Nakajima-Zwanzig projection operator technique, which allows us to express the rate of energy dissipation into a specific bath degree of freedom by using traces of operator products. The approach captures system-bath interactions to all orders, but is based on second-order perturbation theory on the off-diagonal subsystem's couplings and a Markovian description of the bath. The usefulness of our theory is demonstrated by applying it to various models of open quantum systems involving harmonic oscillators or spin baths and connecting the outcomes to existing results such as our previously reported formula derived for locally coupled harmonic baths [Kim and Franco, J. Chem. Phys. 154, 084109 (2021)]. We also prove that the dissipation calculated by our theory rigorously satisfies thermodynamic principles such as energy conservation and detailed balance. Overall, the strategy can be used to develop the theory and simulation of dissipation pathways to interpret and engineer the dynamics of open quantum systems.

General framework for quantifying dissipation pathways in open quantum systems. II. Numerical validation and the role of non-Markovianity.

In the previous paper [C. W. Kim and I. Franco, J. Chem. Phys. 160, 214111-1-214111-13 (2024)], we developed a theory called MQME-D, which allows us to decompose the overall energy dissipation process in open quantum system dynamics into contributions by individual components of the bath when the subsystem dynamics is governed by a Markovian quantum master equation (MQME). Here, we contrast the predictions of MQME-D against the numerically exact results obtained by combining hierarchical equations of motion (HEOM) with a recently reported protocol for monitoring the statistics of the bath. Overall, MQME-D accurately captures the contributions of specific bath components to the overall dissipation while greatly reducing the computational cost compared to exact computations using HEOM. The computations show that MQME-D exhibits errors originating from its inherent Markov approximation. We demonstrate that its accuracy can be significantly increased by incorporating non-Markovianity by exploiting time scale separations (TSS) in different components of the bath. Our work demonstrates that MQME-D combined with TSS can be reliably used to understand how energy is dissipated in realistic open quantum system dynamics.

Decoherence rate in random Lindblad dynamics

Open quantum systems undergo decoherence, which is responsible for the transition from quantum to classical behavior. The time scale in which decoherence takes place can be analyzed using upper limits to its rate. We examine the dynamics of open chaotic quantum systems governed by random Lindblad operators sourced from Gaussian and Ginibre ensembles with Wigner-Dyson symmetry classes. In these systems, the ensemble-averaged purity decays monotonically as a function of time. This decay is governed by the decoherence rate, which is upper-bounded by the dimension of their Hilbert space and is independent of the ensemble symmetry. These findings hold upon mixing different ensembles, indicating the universal character of the decoherence rate limit. Moreover, our findings reveal that open chaotic quantum systems governed by random Lindbladians tend to exhibit the most rapid decoherence, regardless of the initial state. This phenomenon is associated with the concentration of the decoherence rate near its upper bound. Our work identifies primary features of decoherence in dissipative quantum chaos, with applications ranging from quantum foundations to high-energy physics and quantum technologies. Published by the American Physical Society 2024

Entangled two-photon quantum heat engine: Dissipative nonequilibrium dynamics and correlated statistics

Recently, the thermodynamics of open quantum systems driven by light fields has been investigated in the framework of quantum heat engines, whose output work can be measured as a spectroscopic signal. In this work, we investigate a four-level quantum heat engine that generates cascaded entangled photon pairs, treating the hot bath as an incoherent thermal pump and focusing on the correlation statistics of the output work and photon indistinguishability. We show that the dissipative nonequilibrium dynamics of this thermodynamic open quantum system can be reconstructed by correlation measurements under carefully mediated optical control. Comparing our findings with the traditional coherently pumped model, we find that the thermal pumping has the potential to generate nonclassical correlations resulting in photon indistinguishability, displaying an advantage in probing the nonequilibrium effects induced by the baths at different temperatures. Our work also demonstrates that incoherent pumping can optimize such correlations in output work beyond the classical limit. Lastly, we show that nonclassical correlations and resonant power at steady state cannot be simultaneously maximized in the weak coupling regime. Published by the American Physical Society 2024

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.

Observation of Non-Hermitian Edge Burst Effect in One-Dimensional Photonic Quantum Walk.

Non-Hermitian systems can exhibit unique quantum phases without any Hermitian counterparts. For example, the latest theoretical studies predict a new surprising phenomenon that bulk bands can localize and dissipate prominently at the system boundary, which is dubbed the non-Hermitian edge burst effect. Here we realize a one-dimensional non-Hermitian Su-Schrieffer-Heeger lattice with bulk translation symmetry implemented with a photonic quantum walk. Employing time-resolved single-photon detection to characterize the chiral motion and boundary localization of bulk bands, we determine experimentally that the dynamics underlying the non-Hermitian edge burst effect is due to the interplay of non-Hermitian skin effect and imaginary band gap closing. This new non-Hermitian physical effect deepens our understanding of quantum dynamics in open quantum systems.