Preparing ground states and thermal states is essential for simulating quantum systems on quantum computers. Despite the hope for practical quantum advantage in quantum simulation, popular state preparation approaches have been challenged. Monte Carlo-style quantum Gibbs samplers have emerged as an alternative, but prior proposals have been unsatisfactory due to technical obstacles rooted in energy-time uncertainty. We introduce simple continuous-time quantum Gibbs samplers that overcome these obstacles by efficiently simulating Nature-inspired quantum master equations (Lindbladians). In addition, we construct the first provably accurate and efficient algorithm for preparing certain purified Gibbs states (called thermal field double states in high-energy physics) of rapidly thermalizing systems; this algorithm also benefits from a quantum walk speedup. Our algorithms' costs have a provable dependence on temperature, accuracy, and the mixing time (or spectral gap) of the relevant Lindbladian. We complete the first rigorous proof of finite-time thermalization for physically derived Lindbladians by developing a general analytic framework for nonasymptotic secular approximation and approximate detailed balance. Given the success of classical Markov chain Monte Carlo (MCMC) algorithms and the ubiquity of thermodynamics, we anticipate that quantum Gibbs sampling will become indispensable in quantum computing.
Preparing ground states and thermal states is essential for simulating quantum systems on quantum computers. Despite the hope for practical quantum advantage in quantum simulation, popular state preparation approaches have been challenged. Monte Carlo-style quantum Gibbs samplers have emerged as an alternative, but prior proposals have been unsatisfactory due to technical obstacles rooted in energy-time uncertainty. We introduce simple continuous-time quantum Gibbs samplers that overcome these obstacles by efficiently simulating Nature-inspired quantum master equations (Lindbladians). In addition, we construct the first provably accurate and efficient algorithm for preparing certain purified Gibbs states (called thermal field double states in high-energy physics) of rapidly thermalizing systems; this algorithm also benefits from a quantum walk speedup. Our algorithms' costs have a provable dependence on temperature, accuracy, and the mixing time (or spectral gap) of the relevant Lindbladian. We complete the first rigorous proof of finite-time thermalization for physically derived Lindbladians by developing a general analytic framework for nonasymptotic secular approximation and approximate detailed balance. Given the success of classical Markov chain Monte Carlo (MCMC) algorithms and the ubiquity of thermodynamics, we anticipate that quantum Gibbs sampling will become indispensable in quantum computing.
Preparing thermal and ground states is an essential quantum algorithmic task for quantum simulation. In this work, we construct the first efficiently implementable and exactly detailed-balanced Lindbladian for Gibbs states of arbitrary noncommutative Hamiltonians. Our construction can also be regarded as a continuous-time quantum analog of the Metropolis-Hastings algorithm. To prepare the quantum Gibbs state, our algorithm invokes Hamiltonian simulation for a time proportional to the mixing time and the inverse temperature β, up to polylogarithmic factors. Moreover, the gate complexity reduces significantly for lattice Hamiltonians as the corresponding Lindblad operators are (quasi-) local (with radius ∼β) and only depend on local Hamiltonian patches. Meanwhile, purifying our Lindbladians yields a temperature-dependent family of frustration-free "parent Hamiltonians", prescribing an adiabatic path for the canonical purified Gibbs state (i.e., the Thermal Field Double state). These favorable features suggest that our construction serves as a quantum algorithmic counterpart to classical Markov chain Monte Carlo sampling.
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.
Preparing the thermal density matrix ρ β ∝ e − β H corresponding to a given Hamiltonian H is a task of central interest across quantum many-body physics, and is particularly salient when attempting to study it with quantum computers. Although solved in principle by recent constructions of efficiently simulable Lindblad master equations—that provably have ρ β as a steady state [C.-F. Chen , ]—the implementation of these “exact Gibbs samplers” requires large-scale quantum computing resources and is hence challenging in practice on current or even near-term quantum devices. Here, we propose a scheme for approximately simulating an exact Gibbs sampler up to a rigorously bounded error that only requires the (repeated) implementation of three readily available ingredients: (a) analog simulation of H ; (b) strictly local but time-dependent couplings to ancilla qubits; and (c) reset of the ancillas. We give rigorous guarantees on the difference between the fixed point reached by our protocol and the exact thermal state, which only depend on parameters of the protocol and its . The procedure is efficiently implementable on near-term devices if H is local and the mixing time scales mildly with both system size and protocol parameters. While guaranteeing the latter for Hamiltonians of interest remains an important problem for future work, here we lay the groundwork for developing fully efficient thermal state preparation protocols on quantum simulators.
The problem of simulating the thermal behavior of quantum systems remains a central open challenge in quantum computing. Unlike well-established quantum algorithms for unitary dynamics, algorithms for preparing thermal states—crucial for probing equilibrium behavior—became available only recently with breakthrough algorithms based on the simulation of well-designed dissipative processes, a quantum-analog to Markov chain Monte Carlo algorithms. We show a way to implement these algorithms avoiding expensive block encoding and relying only on dense local circuits, akin to Hamiltonian simulation. Specifically, our method leverages spatial truncation and Trotterization of exact quasilocal dissipative processes. We rigorously prove that the approximations we use have little effect on rapid mixing at high temperatures and allow convergence to the thermal state with small bounded error. Moreover, we accompany our analytical results with numerical simulations that show that this method, unlike previously thought, is within the reach of current generation of quantum hardware. These results provide the first provably efficient quantum thermalization protocol implementable on near-term quantum devices, offering a concrete path toward practical simulation of equilibrium quantum phenomena.
While recent advances have established efficient quantum algorithms for preparing Gibbs states of finite-dimensional systems, comparable complexity results for bosonic and other infinite-dimensional models remain unexplored. We introduce the first general rigorous Gibbs sampling framework for bosonic many-body systems, showing that physically relevant bosonic models admit gapped dissipative generators, enabling efficient preparation of thermal states, provided that the spectral gap scales favourably with the number of modes. Although our results hold for broad classes of models, we illustrate them using Bose-Hubbard Hamiltonians, both within and beyond the mean-field regime. In both cases, we show that the associated dissipative generators maintain a positive spectral gap, thereby implying exponential convergence to the thermal state. For the Gibbs sampler corresponding to the full Bose-Hubbard model, we obtain a spectral-gap lower bound Ce−cn, where n is the number of modes. We apply our results to provide a Gibbs-state preparation algorithm on qubit hardware, with runtime polynomial in the number of modes and the inverse spectral gap, and thereby obtain a quantum algorithm to compute thermal properties of the model. This provides the first mathematically controlled route to Gibbs sampling in infinite-dimensional systems, with implications for quantum simulation, thermalization, and many-body complexity, where quantum advantages may arise.
Over the past decades, the problem of classical Gibbs sampling has led to one of the most powerful algorithmic families of the computer age: the Markov Chain Monte Carlo algorithms. Recent theoretical advances in quantum Gibbs sampling have, understandably, sparked considerable excitement. A recent breakthrough provided the first Lindbladians that provably drive a general quantum system to its Gibbs state, efficiently up to the mixing time. In this thesis, we bridge the gap between theory and implementation, with both analytical and numerical contributions. We work out every detail -- from transition rate choices, through quadrature, Trotter, and generator-splitting errors, to quantum circuits that could run on early fault-tolerant quantum computers. Using our fast Krylov-based Lindblad simulators and analysers, we numerically confirm existing theoretical Gibbs sampling results, cross-check our theoretical contributions, and do extrapolatory simulations to understand how the structure of these Gibbs samplers affects convergence rates. Our open-source framework, QuantumFurnace.jl, is built to work hand in hand with theory, providing the community with a tool to further advance quantum Gibbs sampling.