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arXiv:1911.09108 · Physical Review A

Open-system tensor networks and Kramers' crossover for quantum transport

Gabriela Wójtowicz, Justin E. Elenewski, Marek M. Rams, Michael P. Zwolak

Published May 12, 2020• 32 citations
arXivHTMLPDF

Abstract

Tensor networks are a powerful tool for many-body ground states with limited entanglement. These methods can nonetheless fail for certain time-dependent processes-such as quantum transport or quenches-where entanglement growth is linear in time. Matrix-product-state decompositions of the resulting out-of-equilibrium states require a bond dimension that grows exponentially, imposing a hard limit on simulation timescales. However, in the case of transport, if the reservoir modes of a closed system are arranged according to their scattering structure, the entanglement growth can be made logarithmic. Here, we apply this ansatz to open systems via extended reservoirs that have explicit relaxation. This enables transport calculations that can access steady states, time dynamics and noise, and periodic driving (e.g., Floquet states). We demonstrate the approach by calculating the transport characteristics of an open, interacting system. These results open a path to scalable and numerically systematic many-body transport calculations with tensor networks.

DOI
10.1103/physreva.101.050301

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Tensor networks are a powerful tool for many-body ground states with limited entanglement. These methods can nonetheless fail for certain time-dependent processes-such as quantum transport or quenches-where entanglement growth is linear in time. Matrix-product-state decompositions of the resulting out-of-equilibrium states require a bond dimension that grows exponentially, imposing a hard limit on simulation timescales. However, in the case of transport, if the reservoir modes of a closed system are arranged according to their scattering structure, the entanglement growth can be made logarithmic. Here, we apply this ansatz to open systems via extended reservoirs that have explicit relaxation. This enables transport calculations that can access steady states, time dynamics and noise, and periodic driving (e.g., Floquet states). We demonstrate the approach by calculating the transport characteristics of an open, interacting system. These results open a path to scalable and numerically systematic many-body transport calculations with tensor networks.
The difficulty to simulate the dynamics of open quantum systems resides in their coupling to many-body reservoirs with exponentially large Hilbert space. Applying a tensor network approach in the time domain, we demonstrate that effective small reservoirs can be defined and used for modeling open quantum dynamics. The key element of our technique is the timeline reservoir network (TRN), which contains all the information on the reservoir's characteristics, in particular, the memory effects timescale. The TRN has a one-dimensional tensor network structure, which can be effectively approximated in full analogy with the matrix product approximation of spin-chain states. We derive the sufficient bond dimension in the approximated TRN with a reduced set of physical parameters: coupling strength, reservoir correlation time, minimal timescale, and the system's number of degrees of freedom interacting with the environment. The bond dimension can be viewed as a measure of the open dynamics complexity. Simulation is based on the semigroup dynamics of the system and effective reservoir of finite dimension. We provide an illustrative example showing the scope for new numerical and machine learning-based methods for open quantum systems.
The recognition that large classes of quantum many-body systems have limited entanglement in the ground and low-lying excited states led to dramatic advances in their numerical simulation via so-called tensor networks. However, global dynamics elevates many particles into excited states, and can lead to macroscopic entanglement and the failure of tensor networks. Here, we show that for quantum transport-one of the most important cases of this failure-the fundamental issue is the canonical basis in which the scenario is cast: When particles flow through an interface, they scatter, generating a "bit" of entanglement between spatial regions with each event. The frequency basis naturally captures that-in the long-time limit and in the absence of inelastic scattering-particles tend to flow from a state with one frequency to a state of identical frequency. Recognizing this natural structure yields a striking-potentially exponential in some cases-increase in simulation efficiency, greatly extending the attainable spatial and time scales, and broadening the scope of tensor network simulation to hitherto inaccessible classes of nonequilibrium many-body problems.
Extracting late-time hydrodynamic transport properties directly from microscopic quantum models, especially in dimensions beyond one, is believed to be classically intractable. This owes, in part, to the extensive growth of entanglement in higher dimensions and often a mismatch between geometric and tensor network locality. Here, we extend the Density Matrix Truncation (DMT) algorithm to accurately and quantitatively predict high-temperature transport coefficients (e.g. diffusion constants) in up to three dimensions. Additionally, we demonstrate the ability to capture the slow crossover dynamics characteristic of weakly broken integrability. The intuition underlying our approach is to preserve the geometrically local information crucial for hydrodynamics throughout the time evolution, despite using a one-dimensional matrix product state ansatz for higher-dimensional calculations. Our work pushes the boundary of classical computability and opens the door to benchmarking the high-temperature, late-time dynamics of generic quantum simulators.
The nonequilibrium effects of dissipation and drive play a key role in an immense variety of nanoscale and mesoscale quantum systems. To understand the behaviour of open quantum systems, we need accurate methods that capture the influence of the environment on the system, while managing the exponentially large Hilbert space required to describe the system. Tensor network algorithms offer an efficient way to approach this challenge. In this thesis, we develop and apply tensor network techniques to study the dynamics and steady states of various open quantum systems. The first part of the thesis focuses on the driven dissipative many body physics in coupled cavity arrays described by Born-Markov master equations. We extend transfer matrix product operator methods to Liouvillian dynamics, and utilize them to compute dynamical correlation functions and fluorescence spectrum of an infinite coupled cavity array in 1D. We also investigate thermalization, and observe the emergence of a quasi-thermal steady state with a negative effective temperature. In another study, we use infinite projected entangled pair state (iPEPS) methods to compute steady states of coupled cavity lattices in 2D. We find that a straightforward adaptation of iPEPS to Liouvillian dynamics is unstable, contradicting a recent publication in the field. The second part investigates more general systems involving strong couplings and structured environments that induce non-Markovian dynamics. We develop a powerful time-evolving matrix product operator (TEMPO) algorithm that builds on Feynman-Vernon influence functional formalism, and uses matrix product states (MPS) to represent the temporal non-Markovian correlations efficiently. We apply TEMPO to study the localization phase transition of the spin-boson model and the dynamics of two spatially separated two-level systems coupled to a common environment. Finally, we propose the Toblerone TEMPO algorithm, which extends TEMPO to many-body systems interacting with general bosonic environments.
The study of interacting quantum many-body systems is one of the central challenges in modern physics. Interestingly, by understanding the physical properties of such systems from a microscopic description, one can explain many complex quantum phenomena such as the high-temperature superconductivity, fractional quantum Hall effect, etc. However, due to high complexity of these systems, theoretical investigations such as analytical and perturbation theories are limited to studying only a small subset of problems. In the past few decades, numerical simulation has emerged as an indispensable method for studying many phenomena, and has led to immense success and progress in recent years. The main obstacle in addressing quantum many-body systems is that the number of parameters required to represent a state of the system scales exponentially with the system size. However, one hardly needs the full Hilbert space but only a small subspace to describe physical properties of the system. From the point of view in quantum information theory, quantum entanglement is one of the main factors that is responsible for the complexity of studying quantum many-body systems. In particular, the amount of quantum entanglement in such system quantifies the correlation between constituents and therefore it determines how big the subspace is required to represent the system. In this thesis, we are interested in using tensor network states, a new emerging numerical technique to study dynamical and ground state properties of the system. The key ingredient is that a tensor network state which consists of a fairly small number of parameters can represent very well the complete wave function of a system. In one spatial dimension, Matrix Product State (MPS) has become a standard tool, combined with related algorithms such as Time Evolving Block Decimation algorithm (TEBD) to study dynamical properties of a locally-perturbed quantum lattice system. In this thesis, we introduce a technique called ``infinite boundary conditions'' that allows us to use a finite-size MPS to represent the state of an infinite-size system. As a result, one can simulate dynamics of a system for a longer time with a significant computational cost reduction compared to traditional methods. In two spatial dimensions, the tensor network known as Projected Entangled Pair States (PEPS) is emerging as a useful approach. However algorithms for optimizing the matrix elements of these tensors are complex and not very efficient. In particular, the efficiency of the optimization depends critically on the quality of the so-called ``environment'', which is expensive to compute. We have introduced a new method to accelerate the convergence of calculating the PEPS ground state by recycling the environment tensors for many optimization steps, vastly reducing the number of times that the full environment needs to be calculated.
Quantum transport simulations often use explicit, yet finite, electronic reservoirs. These should converge to the correct continuum limit, albeit with a trade-off between discretization and computational cost. Here, we study this interplay for extended reservoir simulations, where relaxation maintains a bias or temperature drop across the system. Our analysis begins in the non-interacting limit, where we parameterize different discretizations to compare them on an even footing. For many-body systems, we develop a method to estimate the relaxation that best approximates the continuum by controlling virtual transitions in Kramers turnover for the current. While some discretizations are more efficient for calculating currents, there is little benefit with regard to the overall state of the system. Any gains become marginal for many-body, tensor network simulations, where the relative performance of discretizations varies when sweeping other numerical controls. These results indicate that typical reservoir discretizations have little impact on numerical costs for certain computational tools. The choice of a relaxation parameter is nonetheless crucial, and the method we develop provides a reliable estimate of the optimal relaxation for finite reservoirs.