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arXiv:2506.20870 · Physical review. B./Physical review. B

Variational simulation of quantum phase transitions induced by boundary fields

Alan Duriez, A. Saguia, M. S. Sarandy

Published Aug 12, 2025• 0 citations
arXivHTMLPDF

Abstract

The characterization of quantum phase transitions is a fundamental task for the understanding of quantum phases of matter, with a number of potential applications in quantum technologies. In this work, we use digital quantum simulation as a resource to theoretically and experimentally study quantum phase transitions. More specifically, we implement the variational quantum eigensolver (VQE) algorithm for the one-dimensional spin-$1/2$ transverse-field Ising chain in the presence of boundary magnetic fields. Such fields can induce a rich phase diagram, including a first-order line and a continuous wetting transition, which is a quantum version of the classical wetting surface phenomenon. We present results for noiseless simulations of the associated quantum circuits as well as hardware results taken from a superconducting quantum processor. For different regions of the phase diagram, the quantum algorithm allows us to predict the critical value of the magnetic fields responsible for either the first- or second-order transitions occurring in the system.

DOI
10.1103/zfdt-1k63

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The characterization of quantum phase transitions is a fundamental task for the understanding of quantum phases of matter, with a number of potential applications in quantum technologies. In this work, we use digital quantum simulation as a resource to theoretically and experimentally study quantum phase transitions. More specifically, we implement the variational quantum eigensolver (VQE) algorithm for the one-dimensional spin-1/21/21/2 transverse-field Ising chain in the presence of boundary magnetic fields. Such fields can induce a rich phase diagram, including a first-order line and a continuous wetting transition, which is a quantum version of the classical wetting surface phenomenon. We present results for noiseless simulations of the associated quantum circuits as well as hardware results taken from a superconducting quantum processor. For different regions of the phase diagram, the quantum algorithm allows us to predict the critical value of the magnetic fields responsible for either the first- or second-order transitions occurring in the system.
The one-dimensional transverse field Ising model with boundary fields is studied analytically and numerically. The phase diagram in the ordered state is obtained. We find that there exist two types of phase transitions. The longitudinal boundary fields applied to the left and right ends of the Ising chain are hL{h}_{L}hL​ and hR{h}_{R}hR​, respectively. For $|{h}_{L}|,|{h}_{R}|<\sqrt{1\ensuremath{-}g}$, where ggg is the transverse field and hLhR<0{h}_{L}{h}_{R}<0hL​hR​<0, a first-order phase transition occurs with the changing hL{h}_{L}hL​ or hR{h}_{R}hR​. The energy gap and boundary magnetization are solved exactly. The analytical expressions of the finite-size scaling for the first-order phase transition are obtained. For $|{h}_{R}|>\sqrt{1\ensuremath{-}g}$ and hLhR<0{h}_{L}{h}_{R}<0hL​hR​<0, there exists a continuous phase transition with changing hL{h}_{L}hL​ and vice versa. This transition is identified as a quantum wetting transition. The singularity of the boundary magnetization in this phase transition is explicitly shown. A simple computational procedure with high accuracy and efficiency is proposed to calculate the magnetization. The magnetization profile, correlation functions, and wetting layer thickness are studied numerically.
The quantum phase transitions provide a paradigm for studying collective quantum phenomena that are a result of competing non-commuting interactions. This paper will study the ground state properties and quantum critical dynamics of the one-dimensional transverse field Ising model through a combined perspective that includes exact diagonalisation, variational quantum eigensolver (VQE) simulations, and simulations on realistic physical quantum devices. We focus on a lattice of four spins, where we calculate the ground-state energies, magnetic order parameters and correlation functions at uniformly applied conditions, which is repeated by all systems. Precise diagonalisation provides both a benchmark, which is symmetry-conserving, and a depth-two, physics inspired variational approximation, which provides simulations accessible to hardware. The circuits that have been optimised identically are then placed on the IQM Garnet quantum processor, using a resource-efficient batched protocol. We find that the ground-state energies of shallow variational circuits are reliably captured by the circuit over the entire parameter space; the magnetic arrangement parameters and observables sensitive to correlation signal significantly more noise. The error analysis of quantitative analysis reveals a strong broadening of critical crossover on hardware, which is consistent with the noise attenuation of long-range correlations. These findings highlight the current capabilities as well as the fundamental limitations of noisy intermediate-scale quantum systems in modelling quantum critical phenomena as a benchmark to future enhancements in obtaining quantum hardware and quantum algorithms development.
Mapping quantum phase diagrams through classical simulation is notoriously resource-intensive, as even small systems far from the thermodynamic limit demand prohibitive computational effort. The variational quantum eigensolver (VQE) offers a compelling alternative, exploiting approximate ground states to distinguish phases. An appealing proposal, dubbed as Delta-VQE, determines critical points by contrasting variational energies optimized from reference states of distinct phases. Intriguingly, the diagnostic sharpens as circuit depth decreases, highlighting its promise as a resource-conscious probe of quantum criticality. To probe the broader applicability and underlying mechanisms of this approach, we investigate the one-dimensional transverse-field Ising model with a three-spin cluster interaction, a setting in which the Ising transitions are generally situated beyond the self-dual line. We demonstrate that, whenever dual ansätze are employed, Delta-VQE invariably detects the self-dual points rather than the true criticality. In contrast, when ansätze are carefully tailored to embody the competing phases across the boundary, the genuine Ising critical point can be successfully identified with only minor finite-size effects. Our results establish that, while Delta-VQE provides a resource-efficient probe of quantum criticality without requiring precise ground-state preparation, its diagnostic power is fundamentally contingent upon the judicious selection of physically representative ansätze.
Abstract Mapping out phase diagrams of quantum systems using classical simulations can be challenging or intractable due to the computational resources required to simulate even small quantum systems far away from the thermodynamic limit. We investigate using quantum computers and the variational quantum eigensolver (VQE) for this task. In contrast to the task of preparing the exact ground state using VQE, sketching phase diagrams might require less quantum resources and accuracy, because low fidelity approximations to the ground state may be enough to correctly identify different phases. We used classical numerical simulations of low-depth VQE circuits to compute order parameters for four well-studied spin and fermion models which represent a mix of 1D and 2D, and exactly-solvable and classically hard systems. We find that it is possible to predict the location of phase transitions up to reasonable accuracy using states produced by VQE even when their overlap with the true ground state is small. Further, we introduce a model-agnostic predictor of phase transitions based on the speed with which the VQE energy improves with respect to the circuit depth, and find that in some cases this is also able to predict phase transitions.
The quantum wetting transition in the one-dimensional transverse-field Ising model with random bonds is studied. Opposite boundary fields are applied at the two ends of the Ising chain. The interface between two domains with oppositely oriented magnetization is localized near the boundary or in the middle of the chain. The wetting transition refers to the phase transition of localization and delocalization of the interface. The tuning parameter hL{h}_{L}hL​ is the boundary field at one end, e.g., the left end. At the transition point hL=hw{h}_{L}={h}_{w}hL​=hw​, the wetting transition occurs. First, we study the wetting transition with one defect bond. It is a first-order transition, and the interface jumps from the left end of the chain to the defect bond at the transition point. Second, we study the wetting transition with two defect bonds and find that the weaker defect bond dominates the phase transition. The wetting transition is still first order, and the interface is localized at the left end of the chain or at the weaker defect bond. Lastly, the random bond case is studied. The random bonds have a rectangular distribution. The wetting transition is still first order. The finite-size effects are studied. The statistics of the transition points and the energy gaps are obtained. We study lattices with sizes N=100N=100N=100, 150, 200, 250, 300, and 350. The deviation of the phase transition points hw{h}_{w}hw​ does not decrease as the lattice size increases. It is argued that the transition point is sample dependent, i.e., the variation in the transition point hw{h}_{w}hw​ does not approach zero, even at the thermodynamic limit.
Quantum computers are an ideal platform to study the ground state properties of strongly correlated systems due to the limitation of classical computing techniques particularly for systems exhibiting quantum phase transitions. While the error rates of Noisy Intermediate-Scale Quantum (NISQ) computers are still high, simulating strongly correlated systems on such devices and extracting information of possible phases may be within reach. The frustrated transverse-field Ising model (TFIM) is such a system with multiple ordered magnetic phases. In this study, we simulate a two-dimensional frustrated TFIM with next-nearest-neighbor spin-exchange interactions at zero temperature. The competition between the nearest-neighbor ferromagnetic and next-nearest-neighbor antiferromagnetic coupling gives rise to frustration in the system. Moreover, the presence of quantum fluctuations makes the ground-state phase profile even richer. We use the Variational Quantum Eigensolver (VQE) to compute the phases on a square lattice with periodic boundary conditions for a system of 16 sites (qubits). The trained VQE circuits are compared to exact diagonalization, allowing us to extract error measures of VQE. We focus on the ground-state phase transitions of this model, where VQE succeeds in finding the dominant magnetic phases. The optimized VQE circuits are then executed on the Quantinuum H1-1 trapped-ion quantum computer without using any error mitigation techniques. Our experiments show near perfect recovery of the magnetic phases of the frustrated model through ground-state energy, the energy derivative, and the spin correlation functions. Thus, we show that the trapped-ion quantum processor is able to achieve reliable simulations of a strongly correlated system within the limitations of the VQE approach.