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arXiv:2304.05291 · Physical Review X

Sublinear Scaling in Non-Markovian Open Quantum Systems Simulations

Moritz Cygorek, Jonathan Keeling, Brendon W. Lovett, Erik M. Gauger

Published Feb 1, 2024• 36 citations
arXivHTMLPDF

Abstract

While several numerical techniques are available for predicting the dynamics of non-Markovian open quantum systems, most struggle with simulations for very long memory and propagation times, e.g., due to superlinear scaling with the number of time steps n . Here, we introduce a numerically exact algorithm to calculate process tensors—compact representations of environmental influences—which provides a scaling advantage over previous algorithms by leveraging self-similarity of the tensor networks that represent the environment. It is applicable to environments with Gaussian statistics, such as for spin-boson-type open quantum systems. Based on a divide-and-conquer strategy, our approach requires only O(n log n) singular value decompositions for environments with infinite memory. Where the memory can be truncated after nc time steps, a nominal scaling O(nc log nc) is found, which is independent of n . This improved scaling is enabled by identifying process tensors with repeatable blocks. To demonstrate the power and utility of our approach, we provide three examples. (1) We calculate the fluorescence spectra of a quantum dot under both strong driving and strong dot-phonon couplings, a task requiring simulations over millions of time steps, which we are able to perform in minutes. (2) We efficiently find process tensors describing superradiance of multiple emitters. (3) We explore the limits of our algorithm by considering coherence decay with a very strongly coupled environment. The observed computation time is not necessarily proportional to the number of singular value decompositions because the matrix dimensions also depend on the number of time steps. Nevertheless, quasilinear and sublinear scaling of computation time is found in practice for a wide range of parameters. While there are instances where existing methods can achieve comparable nominal scaling by precalculating effective propagators for time-independent or periodic system Hamiltonians, process tensors contain all the information needed to extract arbitrary multitime correlation functions of the system when driven by arbitrary time-dependent system Hamiltonians. The algorithm we present here not only significantly extends the scope of numerically exact techniques to open quantum systems with long memory times, but it also has fundamental implications for the simulation complexity of tensor network approaches. Published by the American Physical Society 2024

DOI
10.1103/physrevx.14.011010

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While several numerical techniques are available for predicting the dynamics of non-Markovian open quantum systems, most struggle with simulations for very long memory and propagation times, e.g., due to superlinear scaling with the number of time steps n . Here, we introduce a numerically exact algorithm to calculate process tensors—compact representations of environmental influences—which provides a scaling advantage over previous algorithms by leveraging self-similarity of the tensor networks that represent the environment. It is applicable to environments with Gaussian statistics, such as for spin-boson-type open quantum systems. Based on a divide-and-conquer strategy, our approach requires only O(n log n) singular value decompositions for environments with infinite memory. Where the memory can be truncated after nc time steps, a nominal scaling O(nc log nc) is found, which is independent of n . This improved scaling is enabled by identifying process tensors with repeatable blocks. To demonstrate the power and utility of our approach, we provide three examples. (1) We calculate the fluorescence spectra of a quantum dot under both strong driving and strong dot-phonon couplings, a task requiring simulations over millions of time steps, which we are able to perform in minutes. (2) We efficiently find process tensors describing superradiance of multiple emitters. (3) We explore the limits of our algorithm by considering coherence decay with a very strongly coupled environment. The observed computation time is not necessarily proportional to the number of singular value decompositions because the matrix dimensions also depend on the number of time steps. Nevertheless, quasilinear and sublinear scaling of computation time is found in practice for a wide range of parameters. While there are instances where existing methods can achieve comparable nominal scaling by precalculating effective propagators for time-independent or periodic system Hamiltonians, process tensors contain all the information needed to extract arbitrary multitime correlation functions of the system when driven by arbitrary time-dependent system Hamiltonians. The algorithm we present here not only significantly extends the scope of numerically exact techniques to open quantum systems with long memory times, but it also has fundamental implications for the simulation complexity of tensor network approaches. Published by the American Physical Society 2024
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Non-Markovian open quantum networks are among the most challenging problems in quantum theory, as they suffer from both, the exponentially scaling many-body state space as well as long memory times when the sites are strongly coupled to structured environments. Recent efforts to address them by combining tensor networks with real-time path integrals, such as TEMPO and process tensors, were however limited to systems with rather weak system-environment couplings because strong couplings lead to large bond dimensions. Here, we devise a tensor network scheme (CTEMPO) resulting in particularly small bond dimensions for single-site problems. We then extend this to a practical scheme to simulate non-Markovian quantum networks by time-evolving a corresponding comb tensor network. Benchmarking the single-site algorithm on the spin-boson model we find orders-of-magnitude improvement over established methods. The multi-site algorithm is shown to solve the notoriously difficult problem of the 7-site Fenna-Matthews-Olson photosynthetic complex, whose spectral density contains 62 peaks. We then apply our approach to explore the scaling behavior of the superradiance of up to N=20N=20N=20 quantum dots individually coupled to super-Ohmic phonon baths. Our approach provides a turnkey solution to non-Markovian quantum networks and is compatible with more general tensor network topologies.
We introduce a class of quantum non-Markovian processes—dubbed process trees—that exhibit polynomially decaying temporal correlations and memory distributed across timescales. This class of processes is described by a tensor network with treelike geometry whose component tensors are (1) causality-preserving maps (superprocesses) and (2) locality-preserving temporal change-of-scale transformations. We show that the long-range correlations in this class of processes tends to originate almost entirely from memory effects and can accommodate genuinely quantum power-law correlations in time. Importantly, this class allows efficient computation of multitime correlation functions. To showcase the potential utility of this model-agnostic class for numerical simulation of physical models, we show how it can efficiently approximate the strong memory dynamics of the paradigmatic spin-boson model, in terms of arbitrary multitime features. In contrast to an equivalently costly matrix-product-operator representation, the ansatz produces a fiducial characterization of the relevant physics. Finally, leveraging 2D tensor-network renormalization-group methods, we detail an algorithm for deriving a process tree from an underlying Hamiltonian via the Feynmann-Vernon influence functional. Our work lays the foundation for the development of more efficient numerical techniques in the field of strongly interacting open quantum systems, as well as the theoretical development of a temporal renormalization-group scheme. Published by the American Physical Society 2024
The process tensor framework to open quantum systems provides the most general description of multi-time correlations in non-Markovian quantum dynamics. A compressed representation of a process tensor in terms of matrix product operators (MPO) can be used for numerically exact calculations of multi-time correlation functions in systems strongly coupled to a non-Markovian reservoir. We show here that the numerical scaling for computing multi-dimensional spectra can be significantly improved using a time-translation invariant MPO representation of the process tensor obtained from the uniform time-evolving matrix product operator (uniTEMPO) method. In particular, this approach provides a spectral representation of the non-Markovian dynamics that gives direct access to correlation functions in Fourier-space, avoiding explicit real-time evolution. We calculate linear and 2D electronic spectra for an example system and discuss the performance and numerical scaling of our simulations.
In the path integral formulation of the evolution of an open quantum system coupled to a Gaussian, noninteracting environment, the dynamical contribution of the latter is encoded in an object called the influence functional. Here, we relate the influence functional to the process tensor-a more general representation of a quantum stochastic process-describing the evolution. Then, we use this connection to motivate a tensor network algorithm for the simulation of multitime correlations in open systems, building on recent work where the influence functional is represented in terms of time evolving matrix product operators. By exploiting the symmetries of the influence functional, we are able to use our algorithm to achieve orders-of-magnitude improvement in the efficiency of the resulting numerical simulation. Our improved algorithm is then applied to compute exact phonon emission spectra for the spin-boson model with strong coupling, demonstrating a significant divergence from spectra derived under commonly used assumptions of memorylessness.
We describe a general-purpose computational toolkit for simulating open quantum systems, which provides numerically exact solutions for composites of zero-dimensional quantum systems that may be strongly coupled to multiple, quite general non-Markovian environments. It is based on process tensor matrix product operators (PT-MPOs), which efficiently encapsulate environment influences. The code features implementations of several PT-MPO algorithms, in particular Automated Compression of Environments for general environments comprised of independent modes as well as schemes for generalized spin boson models. The latter includes a divide-and-conquer scheme for periodic PT-MPOs, which enable million time step simulations for realistic models. PT-MPOs can be precalculated and reused for efficiently probing different time-dependent system Hamiltonians. They can also be stacked together and combined to provide numerically complete solutions of small networks of open quantum systems. The code is written in C++ and is fully controllable by configuration files, for which we have developed a versatile and compact human-readable format.