Simulation of a quantum many-body system at finite temperatures is crucially important but quite challenging. Here we present an experimentally feasible quantum algorithm assisted with continuous variable for simulating quantum systems at finite temperatures. Our algorithm has a time complexity scaling polynomially with the inverse temperature and the desired accuracy. We demonstrate the quantum algorithm by simulating a finite temperature phase diagram of the quantum Ising and Kitaev models. It is found that the important crossover phase diagram of the Kitaev ring can be accurately simulated by a quantum computer with only a few qubits and thus the algorithm may be implementable on current quantum processors. We further propose a protocol with superconducting or trapped ion quantum computers.
Simulation of a quantum many-body system at finite temperatures is crucially important but quite challenging. Here we present an experimentally feasible quantum algorithm assisted with continuous variable for simulating quantum systems at finite temperatures. Our algorithm has a time complexity scaling polynomially with the inverse temperature and the desired accuracy. We demonstrate the quantum algorithm by simulating a finite temperature phase diagram of the quantum Ising and Kitaev models. It is found that the important crossover phase diagram of the Kitaev ring can be accurately simulated by a quantum computer with only a few qubits and thus the algorithm may be implementable on current quantum processors. We further propose a protocol with superconducting or trapped ion quantum computers.
The quantum critical regime marks a zone in the phase diagram where quantum fluctuation around the critical point plays a significant role at finite temperatures. While it is of great physical interest, simulation of the quantum critical regime can be difficult on a classical computer due to its intrinsic complexity. Herein, we propose a variational approach, which minimizes the variational free energy, to simulate and locate the quantum critical regime on a quantum computer. The variational quantum algorithm adopts an ansatz by performing an unitary operator on a product of a single-qubit mixed state, in which the entropy can be analytically obtained from the initial state, and thus the free energy can be accessed conveniently. With numeral simulation, using the one-dimensional Kitaev model as a demonstration we show that the quantum critical regime can be identified by accurately evaluating the temperature crossover line. Moreover, the dependencies of both the correlation length and the phase coherence time with temperature are evaluated for the thermal states. Our work suggests a practical way as well as a first step for investigating quantum critical systems at finite temperatures on quantum devices with few qubits.
Preparation of quantum thermal states of many-body systems is a key computational challenge for quantum processors, with applications in physics, chemistry, and classical optimization. We provide a simple and efficient algorithm for thermal state preparation, combining engineered bath resetting and modulated system-bath coupling to derive a quantum channel approximately satisfying quantum detailed balance relations. We show that the fixed point σ ^ of the channel approximates the Gibbs state as ∥ σ ^ − σ ^ β ∥ ∼ θ 2 , where θ is the system-bath coupling and σ ^ β ∝ e − β H ^ S . We provide extensive numerics, for the example of the 2D quantum Ising model, confirming that the protocol successfully prepares the thermal state throughout the finite-temperature phase diagram, including near the quantum phase transition. Simulations for free-fermion systems provide further evidence for the accuracy of the protocol for large system sizes in the weak-coupling limit. Our algorithm provides a path to efficient quantum simulation of quantum-correlated states at finite temperature with current and near-term quantum processors.
Quantum computers promise to solve finite-temperature properties of quantum many-body systems, which is generally challenging for classical computers due to high computational complexities. Here, we report experimental preparations of Gibbs states and excited states of Heisenberg XX and XXZ models by using a 5-qubit programmable superconducting processor. In the experiments, we apply a hybrid quantum–classical algorithm to generate finite temperature states with classical probability models and variational quantum circuits. We reveal that the Hamiltonians can be fully diagonalized with optimized quantum circuits, which enable us to prepare excited states at arbitrary energy density. We demonstrate that the approach has a self-verifying feature and can estimate fundamental thermal observables with a small statistical error. Based on numerical results, we further show that the time complexity of our approach scales polynomially in the number of qubits, revealing its potential in solving large-scale problems.
Finite-Temperature Dynamical Phase Diagram of the 2+1D Quantum Ising Model
Mapping finite-temperature dynamical phase diagrams of quantum many-body models is a necessary step towards establishing a framework of far-from-equilibrium quantum many-body universality. However, this is quite difficult due, in part, to the severe challenges in representing the volume-law entanglement that is generated under nonequilibrium dynamics at finite temperatures. Here, we address these challenges with an efficient equilibrium quantum Monte Carlo (QMC) framework for computing the finite-temperature dynamical phase diagram. Our method uses energy conservation and the self-thermalizing properties of ergodic quantum systems to determine observables at late times after a quantum quench. We use this technique to chart the dynamical phase diagram of the 2+1D quantum Ising model generated by quenches of the transverse field in initial thermal states. Our approach allows us to track the evolution of dynamical phases as a function of both the initial temperature and transverse field. Surprisingly, we identify quenches in the ordered phase that cool the system as well as an interval of initial temperatures where it is possible to quench from the paramagnetic (PM) to ferromagnetic (FM) phases. Our method gives access to dynamical properties without explicitly simulating unitary time evolution, and is immediately applicable to other lattice geometries and interacting many-body systems. Finally, we propose a quantum simulation experiment on state-of-the-art digital quantum hardware to directly probe the predicted dynamical phases and their real-time formation.
Computing finite temperature properties of a quantum many-body system is key to describing a broad range of correlated quantum many-body physics from quantum chemistry and condensed matter to thermal quantum field theories. Quantum computing, which has seen rapid developments in recent years, has a huge potential to impact the computation of quantum thermodynamics. To fulfill these potential impacts, it is crucial to design quantum algorithms that utilize the computation power of quantum computing devices. Here, we present a quantum kernel function expansion (QKFE) algorithm for solving thermodynamic properties of quantum many-body systems. In this quantum algorithm, the many-body density of states is approximated by a kernel Fourier expansion, whose expansion moments are obtained by random state sampling and quantum interferometric measurements. Compared to its classical counterpart, namely, the kernel polynomial method (KPM), QKFE has an exponential advantage in the cost of both time and memory. In computing low temperature properties, QKFE becomes inefficient, similar to classical KPM. To resolve this difficulty, we further construct a thermal ensemble iteration (THEI) protocol which starts from the trivial limit of an infinite temperature ensemble and approaches the low temperature regime step by step. For quantum Hamiltonians, whose ground states are preparable with polynomial quantum circuits, THEI has an overall polynomial complexity. We demonstrate its efficiency with applications to one- and two-dimensional quantum spin models and a fermionic lattice. With our analysis of the realization with digital and analog quantum devices, we believe the quantum algorithm is accessible to current quantum technology.
Quantum simulation provides a powerful route for exploring many-body phenomena beyond the capabilities of classical computation. Existing approaches typically proceed in the forward direction: a model Hamiltonian is specified, implemented on a programmable quantum platform, and its phase diagram and properties are explored. Here we present a quantum algorithmic framework for inverse quantum simulation, enabling quantum material design with desired properties. Target material characteristics are encoded as a cost function, which is minimized on quantum hardware to prepare a many-body state with the desired properties in quantum memory. Hamiltonian learning is then used to reconstruct a low-energy Hamiltonian for which this state is an approximate ground state, yielding a physically interpretable model that can guide experimental synthesis. As illustrative applications, we outline how the method can be used to search for high-temperature superconductors within the fermionic Hubbard model, enhancing d-wave correlations over a broad range of dopings and temperatures, design quantum phases by stabilizing a topological order through continuous Hamiltonian modifications, and optimize dynamical properties relevant for photochemistry and frequency- and momentum-resolved condensed-matter data. These results extend the scope of quantum simulators from exploring quantum many-body systems to designing and discovering new quantum materials.