Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

The Journal of Chemical Physics

Applicability of transfer tensor method for open quantum system dynamics

Andrius Gelžinis, Edvardas Rybakovas, Leonas Valkūnas

Published Dec 21, 2017• 25 citations
Publisher

Abstract

Accurate simulations of open quantum system dynamics is a long standing issue in the field of chemical physics. Exact methods exist, but are costly, while perturbative methods are limited in their applicability. Recently a new black-box type method, called transfer tensor method (TTM), was proposed [J. Cerrillo and J. Cao, Phys. Rev. Lett. 112, 110401 (2014)]. It allows one to accurately simulate long time dynamics with a numerical cost of solving a time-convolution master equation, provided many initial system evolution trajectories are obtained from some exact method beforehand. The possible time-savings thus strongly depend on the ratio of total versus initial evolution lengths. In this work, we investigate the parameter regimes where an application of TTM would be most beneficial in terms of computational time. We identify several promising parameter regimes. Although some of them correspond to cases when perturbative theories could be expected to perform well, we find that the accuracy of such approaches depends on system parameters in a more complex way than it is commonly thought. We propose that the TTM should be applied whenever system evolution is expected to be long and accuracy of perturbative methods cannot be ensured or in cases when the system under consideration does not correspond to any single perturbative regime.

DOI
10.1063/1.5009086

Related papers

On the discretization error of the discrete generalized quantum master equation

Ruojing Peng, Lachlan P. Lindoy, Joonho Lee

The transfer tensor method (TTM) [Cerrillo and Cao, Phys. Rev. Lett. 112, 110401 (2014)] can be considered a discrete-time formulation of the Nakajima-Zwanzig quantum master equation (NZ-QME) for modeling non-Markovian quantum dynamics. A recent paper [Makri, J. Chem. Theory Comput. 21, 5037 (2025)] raised concerns regarding the consistency of the TTM discretization, particularly a spurious term at the initial time t = 0. This work presents a detailed analysis of the discretization structure of the TTM, clarifying the origin of the initial-time correction and establishing a consistent relationship between the TTM discrete-time memory kernel KN and the continuous-time NZ-QME kernel K(NΔt). This relationship is validated numerically using the spin-boson model, demonstrating convergence of reconstructed memory kernels and accurate dynamical evolution as Δt → 0. While the TTM provides a consistent discretization, we note that alternative schemes are also viable, such as the midpoint derivative/midpoint integral scheme proposed in Makri's work. The relative performance of various schemes for either computing accurate K(NΔt) from exact dynamics or obtaining accurate dynamics from exact K(NΔt) warrants further investigation.

arXiv:2507.19323•The Journal of Chemical Physics•Oct 1, 2025•5 citations

Extracting Transfer Tensors from Stochastic Schrödinger Equation Trajectories: A Novel Approach to Dissipative Quantum Dynamics

Siyuan Gao, Zhihao Lan, WanZhen Liang +1 more

Stochastic Schrödinger equation (SSE) methods provide a powerful approach for simulating open quantum system dynamics by unraveling the influence functional into an ensemble average of pure-state trajectories. However, long-time simulations using SSE methods are hindered by the inherent growth of ensemble variance. An alternative strategy is to extract essential memory kernels or transfer tensors from short-time dynamics and extrapolate to arbitrarily long times, as in the transfer tensor method (TTM). Conventional TTM implementations, however, require dynamical maps constructed from an informationally complete set of N 2 initial states─where N is the system dimension─limiting their applicability to small-scale problems. Here, we show that the SSE naturally provides an overcomplete set of Kraus operators that captures the essential information needed to construct dynamical maps for TTM. This connection enables the extension of TTM to high-dimensional systems using results obtained from a single converged SSE simulation with a sufficient number of stochastic realizations. We validate our approach with two representative SSE methods applied to a symmetric spin-boson model and a 24-site Fenna–Matthews–Olson (FMO) complex. The results demonstrate that SSE-TTM offers an accurate and computationally efficient strategy for simulating long-time quantum dynamics in relatively large-scale systems.

The Journal of Physical Chemistry Letters•Jun 1, 2026•0 citations

Non-Markovian Dynamical Maps: Numerical Processing of Open Quantum Trajectories

Javier Cerrillo, Jianshu Cao

The initial stages of the evolution of an open quantum system encode the key information of its underlying dynamical correlations, which in turn can predict the trajectory at later stages. We propose a general approach based on non-Markovian dynamical maps to extract this information from the initial trajectories and compress it into non-Markovian transfer tensors. Assuming time-translational invariance, the tensors can be used to accurately and efficiently propagate the state of the system to arbitrarily long time scales. The non-Markovian transfer tensor method (TTM) demonstrates the coherent-to-incoherent transition as a function of the strength of quantum dissipation and predicts the noncanonical equilibrium distribution due to the system-bath entanglement. TTM is equivalent to solving the Nakajima-Zwanzig equation and, therefore, can be used to reconstruct the dynamical operators (the system Hamiltonian and memory kernel) from quantum trajectories obtained in simulations or experiments. The concept underlying the approach can be generalized to physical observables with the goal of learning and manipulating the trajectories of an open quantum system.

arXiv:1307.7743•Physical Review Letters•Mar 17, 2014•208 citations

The Transfer Tensor Method: an Analytical Study Case

Marcel Morillas-Rozas, Alberto López-García, Gonzalo Reina Rivero +2 more

The transfer tensor method is a versatile tool for analyzing and propagating general open quantum systems. It captures in a compact manner all memory effects in a non-Markovian system through a straightforward transformation of a set of dynamical maps. Transfer tensors provide the exact convolutional propagator associated with a given time discretization over the past evolution of an open quantum system. Here we show that, for any finite time discretization, the memory kernel of the Nakajima Zwanzig equation deviates from the exact transfer tensors, although both converge in the continuous-time limit, as expected. We examine this behaviour in the context of an analytically solvable model: a two level atom resonant with a lossy cavity in the Jaynes Cummings limit. The atomic dynamics separate into two decoupled degrees of freedom -- the coherence and the population inversion. We derive exact expressions for the dynamical map, the transfer tensors and the memory kernel governing the coherence, and we relate them to their counterparts for the population inversion. As a function of the ratio between the cavity loss rate and the atom-cavity coupling strength, we identify regions of enhanced non-Markovianity in which the system can be described as fully Markovian for certain time-step choices.

quant-pharXiv:2603.08458•The Journal of Chemical Physics•Mar 10, 2026•1 citation

Tensor network methods for non-perturbative dynamics of open quantum systems

Thibaut Lacroix, Adam Burgess, Nicola Lorenzoni +11 more

The description of open quantum system dynamics beyond the perturbative treatment (usually associated with Markovian master equations) is a computationally challenging task due to the unfavorable exponential scaling of memory kernels. Developed over recent decades in the context of quantum information and condensed matter, tensor networks provide both a new formalism and a toolbox for overcoming previous computational bottlenecks. This framework enables the formulation of non-perturbative, numerically exact methods for describing the dynamics of open quantum systems to controllable numerical accuracy. In this review, we present these methods and discuss their commonalities and differences to paint a comprehensive view of the field.

quant-pharXiv:2608.09850•Aug 11, 2026•0 citations

Non-Markovian Noise Characterization with the Transfer Tensor Method

Yuqin Chen, Kaili Ma, Yi-Cong Zheng +3 more

We propose simple protocols for performing quantum noise spectroscopy based on the method of transfer tensor maps (TTMs) [Cerrillo and Cao, Phys. Rev. Lett. 112, 110401 (2014)]. The TTM approach is a systematic way to deduce the memory kernel of a time-nonlocal quantum master equation via quantum process tomography. With access to the memory kernel, it is possible to (1) assess the non-Markovianity of a quantum process, (2) reconstruct the noise spectral density beyond pure-dephasing models, and (3) investigate collective decoherence in multiqubit devices. We illustrate the usefulness of TTM spectroscopy on the IBM Quantum Experience platform, and demonstrate that the qubits in the IBM device are subject to mild non-Markovian dissipation with spatial correlations.

arXiv:1905.10941•Physical Review Applied•Mar 18, 2020•37 citations
Accurate simulations of open quantum system dynamics is a long standing issue in the field of chemical physics. Exact methods exist, but are costly, while perturbative methods are limited in their applicability. Recently a new black-box type method, called transfer tensor method (TTM), was proposed [J. Cerrillo and J. Cao, Phys. Rev. Lett. 112, 110401 (2014)]. It allows one to accurately simulate long time dynamics with a numerical cost of solving a time-convolution master equation, provided many initial system evolution trajectories are obtained from some exact method beforehand. The possible time-savings thus strongly depend on the ratio of total versus initial evolution lengths. In this work, we investigate the parameter regimes where an application of TTM would be most beneficial in terms of computational time. We identify several promising parameter regimes. Although some of them correspond to cases when perturbative theories could be expected to perform well, we find that the accuracy of such approaches depends on system parameters in a more complex way than it is commonly thought. We propose that the TTM should be applied whenever system evolution is expected to be long and accuracy of perturbative methods cannot be ensured or in cases when the system under consideration does not correspond to any single perturbative regime.
The transfer tensor method (TTM) [Cerrillo and Cao, Phys. Rev. Lett. 112, 110401 (2014)] can be considered a discrete-time formulation of the Nakajima-Zwanzig quantum master equation (NZ-QME) for modeling non-Markovian quantum dynamics. A recent paper [Makri, J. Chem. Theory Comput. 21, 5037 (2025)] raised concerns regarding the consistency of the TTM discretization, particularly a spurious term at the initial time t = 0. This work presents a detailed analysis of the discretization structure of the TTM, clarifying the origin of the initial-time correction and establishing a consistent relationship between the TTM discrete-time memory kernel KN and the continuous-time NZ-QME kernel K(NΔt). This relationship is validated numerically using the spin-boson model, demonstrating convergence of reconstructed memory kernels and accurate dynamical evolution as Δt → 0. While the TTM provides a consistent discretization, we note that alternative schemes are also viable, such as the midpoint derivative/midpoint integral scheme proposed in Makri's work. The relative performance of various schemes for either computing accurate K(NΔt) from exact dynamics or obtaining accurate dynamics from exact K(NΔt) warrants further investigation.
Stochastic Schrödinger equation (SSE) methods provide a powerful approach for simulating open quantum system dynamics by unraveling the influence functional into an ensemble average of pure-state trajectories. However, long-time simulations using SSE methods are hindered by the inherent growth of ensemble variance. An alternative strategy is to extract essential memory kernels or transfer tensors from short-time dynamics and extrapolate to arbitrarily long times, as in the transfer tensor method (TTM). Conventional TTM implementations, however, require dynamical maps constructed from an informationally complete set of N 2 initial states─where N is the system dimension─limiting their applicability to small-scale problems. Here, we show that the SSE naturally provides an overcomplete set of Kraus operators that captures the essential information needed to construct dynamical maps for TTM. This connection enables the extension of TTM to high-dimensional systems using results obtained from a single converged SSE simulation with a sufficient number of stochastic realizations. We validate our approach with two representative SSE methods applied to a symmetric spin-boson model and a 24-site Fenna–Matthews–Olson (FMO) complex. The results demonstrate that SSE-TTM offers an accurate and computationally efficient strategy for simulating long-time quantum dynamics in relatively large-scale systems.
The initial stages of the evolution of an open quantum system encode the key information of its underlying dynamical correlations, which in turn can predict the trajectory at later stages. We propose a general approach based on non-Markovian dynamical maps to extract this information from the initial trajectories and compress it into non-Markovian transfer tensors. Assuming time-translational invariance, the tensors can be used to accurately and efficiently propagate the state of the system to arbitrarily long time scales. The non-Markovian transfer tensor method (TTM) demonstrates the coherent-to-incoherent transition as a function of the strength of quantum dissipation and predicts the noncanonical equilibrium distribution due to the system-bath entanglement. TTM is equivalent to solving the Nakajima-Zwanzig equation and, therefore, can be used to reconstruct the dynamical operators (the system Hamiltonian and memory kernel) from quantum trajectories obtained in simulations or experiments. The concept underlying the approach can be generalized to physical observables with the goal of learning and manipulating the trajectories of an open quantum system.
The transfer tensor method is a versatile tool for analyzing and propagating general open quantum systems. It captures in a compact manner all memory effects in a non-Markovian system through a straightforward transformation of a set of dynamical maps. Transfer tensors provide the exact convolutional propagator associated with a given time discretization over the past evolution of an open quantum system. Here we show that, for any finite time discretization, the memory kernel of the Nakajima Zwanzig equation deviates from the exact transfer tensors, although both converge in the continuous-time limit, as expected. We examine this behaviour in the context of an analytically solvable model: a two level atom resonant with a lossy cavity in the Jaynes Cummings limit. The atomic dynamics separate into two decoupled degrees of freedom -- the coherence and the population inversion. We derive exact expressions for the dynamical map, the transfer tensors and the memory kernel governing the coherence, and we relate them to their counterparts for the population inversion. As a function of the ratio between the cavity loss rate and the atom-cavity coupling strength, we identify regions of enhanced non-Markovianity in which the system can be described as fully Markovian for certain time-step choices.
The description of open quantum system dynamics beyond the perturbative treatment (usually associated with Markovian master equations) is a computationally challenging task due to the unfavorable exponential scaling of memory kernels. Developed over recent decades in the context of quantum information and condensed matter, tensor networks provide both a new formalism and a toolbox for overcoming previous computational bottlenecks. This framework enables the formulation of non-perturbative, numerically exact methods for describing the dynamics of open quantum systems to controllable numerical accuracy. In this review, we present these methods and discuss their commonalities and differences to paint a comprehensive view of the field.
We propose simple protocols for performing quantum noise spectroscopy based on the method of transfer tensor maps (TTMs) [Cerrillo and Cao, Phys. Rev. Lett. 112, 110401 (2014)]. The TTM approach is a systematic way to deduce the memory kernel of a time-nonlocal quantum master equation via quantum process tomography. With access to the memory kernel, it is possible to (1) assess the non-Markovianity of a quantum process, (2) reconstruct the noise spectral density beyond pure-dephasing models, and (3) investigate collective decoherence in multiqubit devices. We illustrate the usefulness of TTM spectroscopy on the IBM Quantum Experience platform, and demonstrate that the qubits in the IBM device are subject to mild non-Markovian dissipation with spatial correlations.