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arXiv:2407.03414 · Physical Review Research

Direct estimation of the density of states for fermionic systems

Matthew L. Goh, Bálint Koczor

Published Feb 6, 2026• 1 citation
arXivHTMLPDF

Abstract

Simulating time evolution is one of the most natural applications of quantum computers and is thus one of the most promising prospects for achieving practical quantum advantage. Here, we develop quantum algorithms to extract thermodynamic properties by estimating the density of states (DOS), which is a central object in quantum statistical mechanics. We introduce several key innovations that significantly improve the practicality and extend the generality of previous techniques. First, our approach allows one to estimate the DOS only for a specific subspace of the full Hilbert space. This is crucial for fermionic systems, since both canonical and grand canonical ensemble thermal equilibrium properties depend on subspaces of fixed number. Second, in our approach, by time evolving very simple, random initial states, such as randomly chosen computational basis states, we can exactly recover the DOS on average. Third, due to circuit-depth limitations, we only reconstruct the DOS up to a convolution with a Gaussian window—thus all imperfections that shift the energy levels by less than the width of the convolution window will not significantly affect the estimated DOS. For these reasons, we find the approach is a promising candidate for early quantum advantage as even short-time, noisy dynamics can yield a semiquantitative reconstruction of the DOS (convolution with a broad Gaussian window), while early fault-tolerant devices will likely enable higher-resolution DOS reconstruction through longer time evolutions. We demonstrate the practicality of our approach in representative Fermi-Hubbard and spin models and indeed find that our approach is highly robust against algorithmic errors in the time evolution and against gate noise. We further demonstrate that our approach is compatible with noisy intermediate-scale quantum (NISQ) computing NISQ-friendly variational techniques, introducing and leveraging a technique for variational time evolution.

DOI
10.1103/h8l5-87zt

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Simulating time evolution is one of the most natural applications of quantum computers and is thus one of the most promising prospects for achieving practical quantum advantage. Here, we develop quantum algorithms to extract thermodynamic properties by estimating the density of states (DOS), which is a central object in quantum statistical mechanics. We introduce several key innovations that significantly improve the practicality and extend the generality of previous techniques. First, our approach allows one to estimate the DOS only for a specific subspace of the full Hilbert space. This is crucial for fermionic systems, since both canonical and grand canonical ensemble thermal equilibrium properties depend on subspaces of fixed number. Second, in our approach, by time evolving very simple, random initial states, such as randomly chosen computational basis states, we can exactly recover the DOS on average. Third, due to circuit-depth limitations, we only reconstruct the DOS up to a convolution with a Gaussian window—thus all imperfections that shift the energy levels by less than the width of the convolution window will not significantly affect the estimated DOS. For these reasons, we find the approach is a promising candidate for early quantum advantage as even short-time, noisy dynamics can yield a semiquantitative reconstruction of the DOS (convolution with a broad Gaussian window), while early fault-tolerant devices will likely enable higher-resolution DOS reconstruction through longer time evolutions. We demonstrate the practicality of our approach in representative Fermi-Hubbard and spin models and indeed find that our approach is highly robust against algorithmic errors in the time evolution and against gate noise. We further demonstrate that our approach is compatible with noisy intermediate-scale quantum (NISQ) computing NISQ-friendly variational techniques, introducing and leveraging a technique for variational time evolution.
The density of states (DoS) encodes the thermodynamic and spectral properties of quantum many-body systems, yet its reconstruction becomes intractable for Hilbert spaces too large to diagonalize. Classically, the kernel polynomial method (KPM) addresses this by combining stochastic trace estimation with a smoothing kernel. Here we show that the Rodeo algorithm---one of the simplest eigenvalue-location protocols for near-term quantum hardware---provides a direct quantum analogue of this approach. Averaging the Rodeo response over Haar-random input states yields the DoS convolved with a spectral kernel fixed entirely by the distribution of evolution times: the random states play the role of stochastic trace estimation, and the temporal sampling distribution that of the damping kernel. The construction requires only the standard single-ancilla circuit, and quantum typicality suppresses the statistical error as the Hilbert-space dimension grows. We derive the estimator and its uncertainties, establish an explicit dictionary between signal-processing window functions and quantum reconstruction kernels, and validate the method on the one-dimensional transverse-field Ising and spin-1 models.
Simulating time evolution of quantum systems is one of the most promising applications of quantum computing and also appears as a subroutine in many applications such as Green's function methods. In the current era of NISQ machines we assess the state of algorithms for simulating time dynamics with limited resources. We propose the Jaynes-Cummings model and extensions to it as useful toy models to investigate time evolution algorithms on near-term quantum computers. Using these simple models, direct Trotterisation of the time evolution operator produces deep circuits, requiring coherence times out of reach on current NISQ hardware. Therefore we test two alternative responses to this problem: variational compilation of the time evolution operator, and variational quantum simulation of the wavefunction ansatz. We demonstrate numerically to what extent these methods are successful in time evolving this system. The costs in terms of circuit depth and number of measurements are compared quantitatively, along with other drawbacks and advantages of each method. We find that computational requirements for both methods make them suitable for performing time evolution simulations of our models on NISQ hardware. Our results also indicate that variational quantum compilation produces more accurate results than variational quantum simulation, at the cost of a larger number of measurements.
Abstract Simulating quantum dynamics to extract time-evolving observables constitutes a central challenge in quantum computing, with both fundamental significance and broad practical applications. Classical approaches suffer from the exponential scaling of Hilbert space, while existing quantum algorithms face limitations from deep circuits and sequential error accumulation on near-term devices. This work introduces a physics-informed quantum subspace method for the efficient estimation of dynamical properties of quantum systems. The core innovation is a globally physics-informed loss function that incorporates the time-dependent Schrödinger equation as a physics-based penalty. This enforces quantum evolution constraints directly during optimization, thereby circumventing the error accumulation inherent in stepwise simulations. By strategically relaxing the normalization constraint, we obtain convexified loss functions whose optimization reduces to solving a linear system, guaranteeing global convergence and significantly mitigating the convergence issues and barren plateaus common in variational quantum algorithms. Theoretically, we prove that under suitable conditions the true dynamical solution can be approximated with high accuracy within a subspace whose dimension scales only as O ( T log ⁡ ( 1 / ε ) ) , thus breaking the curse of dimensionality in classical simulation. Numerical experiments demonstrate that the proposed method outperforms conventional Trotterization and variational quantum benchmarks in terms of computational cost, convergence speed, and robustness against measurement noise, offering a viable and efficient pathway for practical dynamical simulation on noisy intermediate-scale quantum hardware.
A significant amount of research is currently devoted to quantum technologies, i.e., technologies that harness the complex features of quantum systems for practical purposes. Remarkably, these have the potential to shape the way we will live in the future by, for example, providing new ways of breaking the current cryptographic security measures or by exponentially enhancing the computational capability of computers. This, in turn, could serve as a means for studying phenomena so complex that they render classical computers completely unusable. With these promises at hand, methods that efficiently certify the correct functioning of quantum devices and computations become of paramount importance. Specifically, it is often required to assess a characterization of the quantum states that come out from a specific computation or experiment. The traditional method of quantum state tomography relies on a rather straightforward but brute-force approach to reconstruct the full density matrix that encodes a quantum state. This method is highly demanding because of the curse of dimensionality, according to which the number of required measurements scales with the system’s dimension, and thus exponentially with the number of qubits. As the quantum protocols demand a progressively higher number of qubits, overall, a complete characterization of quantum states through tomography loses its effectiveness, thus calling for a partial but simpler reconstruction of states. Furthermore, an additional obstacle must be taken into account. In particular, the same complex features of the quantum realm that would help to navigate through the sea of potential applications hinder a growth of the current technological state of the art, which indeed is limited within the so-called NISQ (Noisy Intermediate-Scale Quantum) devices. These, as the name suggests, are characterized by inevitable noises and imperfections, and as such are not advanced enough for achieving a real quantum advantage in the near term. In this Thesis we are going to discuss new techniques for the estimation of properties of unknown quantum states in the context of quantum information science. The protocols that we will present are flexible enough to not only include state tomography within them, but to also adapt to noises and imperfections present in the computational devices. Ivan Palmisano was funded by the CITI-GENS project. This project received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Actions COFUND Action (Grant Agreement No 945231). All views expressed in this article are strictly those of the author and may under no circumstances be regarded as an official position of the European Research Executive Agency or the European Commission.
Understanding low-energy excitations in fermionic systems is crucial for their characterization. They determine the response of the system to external weak perturbations, its dynamical correlation functions, and provide mechanisms for the emergence of exotic phases of matter. In this work, we study the spin excitation spectra of the 1D Fermi-Hubbard model using a digital quantum processor. Introducing a protocol that is naturally suited for simulation on quantum computers, we recover the retarded spin Green's function from the time evolution of simple observables after a specific quantum quench. We exploit the robustness of the protocol to perturbations of the initial state to minimize the quantum resources required for the initial state preparation, and to allocate the majority of them to a Trotterized time-dynamics simulation. This, combined with the intrinsic resilience to noise of the protocol, allows us to accurately reconstruct the spin excitation spectrum for large instances of the 1D Fermi-Hubbard model without making use of expensive error mitigation techniques, using up to 30 qubits of an IBM Heron r2 device.
Simulating the time evolution of quantum systems is a classically challenging and often intractable task due to the exponential scaling of its constituent operators. This scaling makes it a promising application for quantum computation, especially for correlated systems. Constructing an approximate time evolution operator can be done using the Trotter-Suzuki decomposition with an error that scales at most polynomially in the target simulation time and can be decreased at the cost of longer circuit depth. Variational approaches to classically optimize this approximation have shown significant improvement in accuracy for large quantum systems in both gate count and accuracy by several orders of magnitude. However, it is unclear if a similar improvement can be obtained for strongly correlated systems. We extend this variational approach to two example systems with strong correlations: a one-dimensional Fermi-Hubbard chain and an extended Fermi-Hubbard chain. The encoding between qubits and fermionic modes in these systems is generally nonlocal and so we propose an encoding scheme for these Hamiltonians with minimal overall operator distance between nearest neighbor connected qubits. We demonstrate that this variational method grants a similarly strong improvement in both gate count and accuracy and examine the performance of these optimized gate sequences using realistic noise models to estimate their performance on noisy quantum hardware. Finally, we discuss an approach to combine the optimized nonlocal gates of small chains to larger systems without the need for additional computational resources.