Abstract We present a general numerical simulation method to solve non-Markovian dynamics of an open quantum system influenced by quantum Brownian motion. Based on the determined memory kernel function, this method enables the resolution of non-Markovian dynamics for a wide range of system Hamiltonians and spectral densities. The system dynamics are described by exact integro-differential operator equations without any common approximations and they are simulated in this work by definite-number equations with stochastic initial conditions. This approach ensures the applicability of mature numerical methods and maintains computational complexity that remains largely invariant, even when dealing with more complex models. The high accuracy of our simulation is evident from a comparison with the results obtained from corresponding exact master equations, underscoring the reliability and precision of our method.
Abstract We present a general numerical simulation method to solve non-Markovian dynamics of an open quantum system influenced by quantum Brownian motion. Based on the determined memory kernel function, this method enables the resolution of non-Markovian dynamics for a wide range of system Hamiltonians and spectral densities. The system dynamics are described by exact integro-differential operator equations without any common approximations and they are simulated in this work by definite-number equations with stochastic initial conditions. This approach ensures the applicability of mature numerical methods and maintains computational complexity that remains largely invariant, even when dealing with more complex models. The high accuracy of our simulation is evident from a comparison with the results obtained from corresponding exact master equations, underscoring the reliability and precision of our method.
Existing quantum algorithms for simulating dynamical systems -- from Hamiltonian simulation to linear and nonlinear differential equations solvers -- simulate Markovian dynamics, in which the system's future evolution depends solely on its current state. We turn our attention to developing quantum algorithms for non-Markovian dynamical systems where the system's future evolution depends on its past history and thus has memory. Specifically, we develop efficient algorithms for linear Volterra integro-differential equations (VIDEs) with a convolution memory kernel that output a quantum state encoding the state description over a time interval or at a particular time. Given efficient circuits for the problem inputs, our algorithms achieve an exponential speedup in system size over existing classical algorithms.
We develop an algorithm for general kernels assuming that M<1, where M characterizes the strength of the memory term relative to the dissipation of the Markovian part of the dynamics. We complement this with lower bounds for general-kernel VIDEs when M≥1, showing that the problem becomes intractable for a family of systems. However, by specializing to structured kernels which admit concise decompositions over exponentials, we develop efficient quantum algorithms even when M≥1 by converting the VIDE into a larger set of ODEs, a procedure which we call Markovianization. As an application of the overall framework, we discuss the Mori-Zwanzig formalism used in open quantum systems and fluid dynamics. Overall, our results expand the range of dynamical systems that quantum computers can simulate efficiently.
We present a projection-based, stability-preserving methodology for computing time correlation functions in open quantum systems governed by generalized quantum master equations with non-Markovian effects. Building upon the memory kernel coupling theory framework, our approach transforms the memory kernel hierarchy into a system of coupled linear differential equations through Mori-Zwanzig projection, followed by spectral projection onto stable eigenmodes to ensure numerical stability. By systematically eliminating unstable modes while preserving the physically relevant dynamics, our method guaranties long-time convergence without introducing artificial damping or ad hoc modifications. The theoretical framework maintains mathematical rigor through orthogonal projection operators and spectral decomposition. Benchmark calculations on the spin-boson model show excellent agreement with exact hierarchical equations of motion results while achieving significant computational efficiency. This approach provides a versatile and reliable framework for simulating non-Markovian dynamics in complex systems.
Recent advances in quantum technologies and related experiments have created a need for highly accurate, versatile, and computationally efficient simulation techniques for the dynamics of open quantum systems. Long-lived correlation effects (non-Markovianity), system-environment hybridization, and the necessity for accuracy beyond the Born-Markov approximation form particular challenges. Approaches to meet these challenges have been introduced, originating from different fields, such as hierarchical equations of motion, Lindblad-pseudomode formulas, chain-mapping approaches, quantum Brownian motion master equations, stochastic unravelings, and refined quantum master equations. This diversity, while indicative of the field's relevance, has inadvertently led to a fragmentation that hinders cohesive advances and their effective cross-community application to current problems for complex systems. How are different approaches related to each other? What are their strengths and limitations? Here we give a systematic overview and concise discussion addressing these questions. We make use of a unified framework which very conveniently allows to link different schemes and, this way, may also catalyze further progress. In line with the state of the art, this framework is formulated not in a fully reduced space of the system but in an extended state space which in a minimal fashion includes effective reservoir modes. This in turn offers a comprehensive understanding of existing methods, elucidating their physical interpretations, interconnections, and applicability.
A general approach to the construction of non-Markovian quantum theory is proposed. Non-Markovian equations for quantum observables and states are suggested by using general fractional calculus. In the proposed approach, the non-locality in time is represented by operator kernels of the Sonin type. A wide class of the exactly solvable models of non-Markovian quantum dynamics is suggested. These models describe open (non-Hamiltonian) quantum systems with general form of nonlocality in time. To describe these systems, the Lindblad equations for quantum observable and states are generalized by taking into account a general form of nonlocality. The non-Markovian quantum dynamics is described by using integro-differential equations with general fractional derivatives and integrals with respect to time. The exact solutions of these equations are derived by using the operational calculus that is proposed by Yu. Luchko for general fractional differential equations. Properties of bi-positivity, complete positivity, dissipativity, and generalized dissipativity in general non-Markovian quantum dynamics are discussed. Examples of a quantum oscillator and two-level quantum system with a general form of nonlocality in time are suggested.
We develop a data-driven framework for identifying non-Markovian equations of motion for open quantum systems, demonstrated here for qubit-environment dynamics. Starting from the Nakajima-Zwanzig formalism, we vectorize the reduced density matrix into a four-dimensional state vector and cast the dynamics as a Volterra integro-differential equation with an operator-valued memory kernel. The learning task is then formulated as a constrained optimization problem over the admissible operator space, where correlation functions are approximated by rational functions using Pade approximants. We establish well-posedness of the learning problem, ensuring existence of minimizers. To assess performance, we construct synthetic data sets from representative test problems of increasing complexity: (i) exactly solvable pure dephasing, with correlation functions expressed in terms of special functions, (ii) a damped Jaynes-Cummings model with an analytic coherence kernel, (iii) a transverse Born model with frequency-resolved bath integrals and population-coherence coupling, and (iv) a non-rotating-wave quantum Rabi model whose memory kernel has no closed form. Numerical experiments demonstrate that Pade captures nontrivial temporal structures such as oscillatory memory, algebraic tails, and phase-sensitive coherence transfer, and that the learned models generalize across ensembles of physically admissible initial states. We perform a parametrization-invariant sensitivity analysis and show that the trajectories are insensitive to the unrecoverable parts of the kernel, so the learned models stay predictive despite severe ill-conditioning in kernel recovery. These results together illustrate that data-driven rational approximation provides an effective route to identifying non-Markovian kernels of practical relevance in quantum technologies.
A system of spins coupled to a bath is a traditional setup in open quantum systems. Through Heisenberg's equation, the spin dynamics can be modeled by a set of first-order differential equations. Interpreting the terms as colored noise and non-Markovian damping, one can write them as quantummechanical Heisenberg-Langevin (HL) equations. These are notoriously difficult to solve because of the high dimensionality of the Hilbert space. Classical generalized Langevin equations, involving non-Markovian damping and colored noise, are well understood and can be treated numerically with relative ease. Thus, a classical ansatz can be made by substituting quantum expectation values with classical functions. This allows the application of standard methods developed for classical stochastic dynamical systems to tackle spin dynamics. However, this approach is uncontrolled and should be benchmarked against known quantum dynamics. In this investigation, a Hamiltonian for spin dynamics is modified to obtain a setup analogous to the Weisskopf-Wigner (WW) theory of spontaneous emission, enabling a comparison of the results. This will be compared for T = 0 and with a slight adaptation in the high-temperature limit.