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arXiv:2505.20064 · Physical Review X

Thermalization in Open Many-Body Systems and KMS Detailed Balance

Matteo Scandi, Alvaro Martin Alhambra

Published Dec 22, 2025• 5 citations
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Abstract

Starting from a microscopic description of weak system-bath interactions, we derive from first principles a quantum master equation that does not rely on the well-known rotating wave approximation. This includes generic many-body systems, with Hamiltonians with vanishingly small energy spacings that forbid that approximation. The equation satisfies a general form of detailed balance, called KMS (Kubo-Martin-Schwinger), which ensures exact convergence to the many-body Gibbs state. Unlike the more common notion of GNS (Gelfand-Naimark-Segal) detailed balance, this notion is compatible with the absence of the rotating wave approximation. We show that the resulting Lindbladian dynamics not only reproduces the thermal equilibrium point up to a small renormalization of the system Hamiltonian, but it also approximates the true system evolution with an error that grows at most linearly in time, giving an exponential improvement upon previous estimates. This master equation has quasilocal jump operators, can be efficiently simulated on a quantum computer, and reduces to the usual Davies dynamics in the limit of a coarse-graining time much larger than the inverse of the smallest frequency difference. With it, we provide a rigorous model of many-body thermalization relevant to both open quantum systems and quantum algorithms.

DOI
10.1103/sfp3-3sqf

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Starting from a microscopic description of weak system-bath interactions, we derive from first principles a quantum master equation that does not rely on the well-known rotating wave approximation. This includes generic many-body systems, with Hamiltonians with vanishingly small energy spacings that forbid that approximation. The equation satisfies a general form of detailed balance, called KMS (Kubo-Martin-Schwinger), which ensures exact convergence to the many-body Gibbs state. Unlike the more common notion of GNS (Gelfand-Naimark-Segal) detailed balance, this notion is compatible with the absence of the rotating wave approximation. We show that the resulting Lindbladian dynamics not only reproduces the thermal equilibrium point up to a small renormalization of the system Hamiltonian, but it also approximates the true system evolution with an error that grows at most linearly in time, giving an exponential improvement upon previous estimates. This master equation has quasilocal jump operators, can be efficiently simulated on a quantum computer, and reduces to the usual Davies dynamics in the limit of a coarse-graining time much larger than the inverse of the smallest frequency difference. With it, we provide a rigorous model of many-body thermalization relevant to both open quantum systems and quantum algorithms.
We investigate quantum thermal state preparation algorithms based on system-bath interactions and uncover a surprising phenomenon in the weak-coupling regime. We rigorously prove that, if the system-bath interaction is engineered so that the transition part of the approximate Lindbladian generator satisfies the Kubo--Martin--Schwinger (KMS) detailed balance condition, then the unique fixed point of the dynamics can be made arbitrarily close to the Gibbs state in the weak-coupling limit, regardless of the structure of the Lamb shift term. Importantly, this remains true even when the approximate Lindbladian differs substantially from the ideal Davies generator and the Lamb shift term does not commute with the thermal state. Our result shows that the role of the KMS detailed balance condition extends well beyond standard Lindbladian dynamics, serving as a general principle for a broader class of dissipative systems. Furthermore, by combining this with a general perturbation framework, we bound the mixing time of the dynamics and establish an end-to-end complexity of O(ε−1)\mathcal{O}(\varepsilon^{-1})O(ε−1) for Gibbs state preparation. These guarantees apply to any Hamiltonian whose associated KMS-detailed-balance Lindbladian is known to be fast mixing.
Stationary states of quantum many-body Hamiltonians are invariant under the Hamiltonian evolution. Besides ground and thermal states, this class includes microcanonical ensembles that are of fundamental importance in statistical physics. We consider the preparation of general stationary states by leveraging recent advances in the field of open-system dynamics. In particular, constructions based on exact KMS-detailed balance with respect to Gibbs states of noncommuting Hamiltonians have only recently been proposed as a tool for their efficient preparation and, by extension to small temperatures, for ground state preparation. We extend these constructions to the problem of stationary state preparation, providing general criteria that characterize when such states have efficient implementations, along with specific results on the approximation of microcanonical ensembles. An interesting application of our work are tests of conjectured ensemble equivalences for local observables between microcanonical and Gibbs ensembles.
Away from equilibrium, the properties of open quantum systems depend on the details of their environment. A microscopic derivation of a master equation (ME) is therefore crucial. Of particular interest are Lindblad-type equations, not only because they provide the most general class of Markovian MEs, but also since they are the starting point for efficient quantum trajectory simulations. Lindblad-type MEs are commonly derived from the Born-Markov-Redfield equation via a rotating-wave approximation (RWA). However the RWA is valid only for ultraweak system-bath coupling and often fails to accurately describe nonequilibrium processes. Here we derive an alternative Lindbladian approximation to the Redfield equation, which does not rely on ultraweak system-bath coupling. Applying it to an extended Hubbard model coupled to Ohmic baths, we show that, especially away from equilibrium, it provides a good approximation in large parameter regimes where the RWA fails.
Abstract Lindblad dynamics and other open-system dynamics provide a promising path towards efficient Gibbs sampling on quantum computers. In these proposals, the Lindbladian is obtained via an algorithmic construction akin to designing an artificial thermostat in classical Monte Carlo or molecular dynamics methods, rather than being treated as an approximation to weakly coupled system-bath unitary dynamics. Recently, Chen, Kastoryano, and Gilyén (arXiv:2311.09207) introduced the first efficiently implementable Lindbladian satisfying the Kubo–Martin–Schwinger (KMS) detailed balance condition, which ensures that the Gibbs state is a fixed point of the dynamics and is applicable to non-commuting Hamiltonians. This Gibbs sampler uses a continuously parameterized set of jump operators, and the energy resolution required for implementing each jump operator depends only logarithmically on the precision and the mixing time. In this work, we build upon the structural characterization of KMS detailed balanced Lindbladians by Fagnola and Umanità, and develop a family of efficient quantum Gibbs samplers using a finite set of jump operators (the number can be as few as one), akin to the classical Markov chain-based sampling algorithm. Compared to the existing works, our quantum Gibbs samplers have a comparable quantum simulation cost but with greater design flexibility and a much simpler implementation and error analysis. Moreover, it encompasses the construction of Chen, Kastoryano, and Gilyén as a special instance.
Pseudomode approaches allow for an exact and unapproximated description of a quantum system interacting arbitrarily strongly with a bath. In general, a system coupled to pseudomodes will not thermalize to the system's Gibbs state: This is to be expected when the system-bath coupling is non-perturbative, but conflicts with common thermodynamic intuition when the system-bath coupling is asymptotically weak. We explore under which circumstances pseudomode models satisfy detailed balance (and subsequently thermalize to the system Gibbs state) and how specific choices of parameters can force "weak" detailed balance that is restricted to a limited frequency range. A combination of Hermitian and non-Hermitian pseudomodes that yields a flat effective-temperature profile is also considered. The results and criteria established here are relevant for the construction of pseudomode models in contexts where thermodynamic consistency is required.
Many physical phenomena, including thermalization in open quantum systems and quantum Gibbs sampling, are modeled by Lindbladians approximating a system weakly coupled to a bath. Understanding the convergence speed of these Lindbladians to their steady states is crucial for bounding algorithmic runtimes and thermalization timescales. We study two such families of processes: one characterizing a repeated-interaction Gibbs sampling algorithm, and another modeling open many-body quantum thermalization. We prove that both converge in polynomial time for several non-commuting systems, including high-temperature local lattices, weakly interacting fermions, and 1D spin chains. These results demonstrate that simple dissipative quantum algorithms can prepare complex Gibbs states and that Lindblad dynamics accurately capture thermal relaxation. Our proofs rely on a novel technical result that extrapolates spectral gap lower bounds from quasi-local Lindbladians to the non-local generators governing these dynamics.