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arXiv:2608.23231

Quantum Monte Carlo in the Age of Many-Body Quantum Information

Yi-Ming Ding, Bin-Bin Mao, Zheng Yan

quant-phcond-mat.stat-mechcond-mat.str-elSubmitted Aug 24, 2026• Announced Aug 25, 2026• 0 citations
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Abstract

Quantum Monte Carlo (QMC) methods are among the central numerical tools for studying strongly correlated quantum many-body systems, particularly in higher dimensions. As quantum information has introduced new information-theoretic perspectives and diagnostics into many-body physics, QMC methods have accordingly been extended beyond the measurement of conventional linear observables. This review summarizes recent progress in adapting QMC to many-body quantum-information, focusing on qubit or spin-$1/2$ systems as a concrete setting while keeping the discussion broadly applicable to qudit and bosonic systems. We present a unified perspective on the extraction of nonlinear diagnostics, including entanglement entropies and entanglement spectra, Rényi negativities for mixed-state entanglement, stabilizer entropies for quantum magic, and decoherence-driven phenomena such as the interplay between imaginary-time evolution and decoherence and strong-to-weak spontaneous symmetry breaking.

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44 pages; 20 figures

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Quantum Monte Carlo (QMC) methods are among the central numerical tools for studying strongly correlated quantum many-body systems, particularly in higher dimensions. As quantum information has introduced new information-theoretic perspectives and diagnostics into many-body physics, QMC methods have accordingly been extended beyond the measurement of conventional linear observables. This review summarizes recent progress in adapting QMC to many-body quantum-information, focusing on qubit or spin-1/21/21/2 systems as a concrete setting while keeping the discussion broadly applicable to qudit and bosonic systems. We present a unified perspective on the extraction of nonlinear diagnostics, including entanglement entropies and entanglement spectra, Rényi negativities for mixed-state entanglement, stabilizer entropies for quantum magic, and decoherence-driven phenomena such as the interplay between imaginary-time evolution and decoherence and strong-to-weak spontaneous symmetry breaking.
Symmetry and entanglement are two fundamental concepts in quantum many-body physics. Their interplay is captured by symmetry-resolved entanglement, which decomposes the total entanglement into contributions from different symmetry sectors. Computing symmetry-resolved entanglement in strongly interacting higher-dimensional quantum systems remains challenging. Here, we formulate and implement an estimator-based quantum Monte Carlo (QMC) framework for computing symmetry-resolved Rényi entropies (SRRE) in sign-problem-free interacting lattice systems by measuring disorder (symmetry-twisted) operators in ordinary and replica ensembles and reconstructing SRRE from the corresponding charged moments. We validate the framework in two controlled one-dimensional settings: the transverse-field Ising model (TFIM), for which exact conformal-field-theory predictions are available, and the interacting Heisenberg chain, which tests the U(1) U ( 1 ) symmetry-sector reconstruction and its finite-size behavior. We then apply the method to the two-dimensional TFIM. Within the accessible system sizes and a phenomenological finite-size extrapolation, our data provide numerical evidence consistent with entanglement equipartition at the (2+1) ( 2 + 1 ) D Ising critical point. Our work establishes a practical numerical route to symmetry-resolved entanglement in interacting lattice models and provides a framework for future studies beyond one dimension.
Reliable simulations of correlated quantum systems, including high-temperature superconductors and frustrated magnets, are increasingly desired nowadays to further our understanding of essential features in such systems. Quantum Monte Carlo (QMC) is a unique numerically exact and intrinsically unbiased method to simulate interacting quantum many-body systems. More importantly, when QMC simulations are free from the notorious fermion sign problem, they can reliably simulate interacting quantum models with large system size and low temperature to reveal low-energy physics such as spontaneously broken symmetries and universal quantum critical behaviors. Here, we concisely review recent progress made in developing new sign-problem-free QMC algorithms, including those employing Majorana representation and those utilizing hot-spot physics. We also discuss applications of these novel sign-problem-free QMC algorithms in simulations of various interesting quantum many-body models. Finally, we discuss possible future directions of designing sign-problem-free QMC methods.
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We discuss designer Hamiltonians—lattice models tailored to be free from sign problems (“de-signed”) when simulated with quantum Monte Carlo (QMC) methods but which still host complex many-body states and quantum phase transitions of interest in condensed matter physics. We focus on quantum spin systems in which competing interactions lead to nonmagnetic ground states. These states and the associated quantum phase transitions can be studied in great detail, enabling direct access to universal properties and connections with low-energy effective quantum field theories. As specific examples, we discuss the transition from a Néel antiferromagnet to either a uniform quantum paramagnet or a spontaneously symmetry-broken valence-bond solid (VBS) in SU(2) and SU(N) invariant spin models. We also discuss anisotropic (XXZ) systems harboring topological Z2 spin liquids and the XY* transition. We briefly review recent progress on QMC algorithms, including ground-state projection in the valence-bond basis and direct computation of the Renyi variants of the entanglement entropy.
This thesis is divided into two parts. In the first part we study quantum phases in bosonic systems in an optical lattice by using numerical unbiased Quantum Monte Carlo (QMC) method. Ultracold atoms experiments in optical lattices provide a possibility to simulate the materials of condensed matter in a clean and well-controled way. We focus on two components bosonic systems where exotic phases such as pair-superfluid and pair-supersolid appear. In the second part we provide numerical methods based on QMC simulations to study the entanglement properties of strong correlated systems. By employing the replica trick, we reconstruct the entanglement spectrum from the Renyi entropies. Furthermore, we study the trace of the power of the partial transposed reduced density matrix, which is related to the entanglement measurement negativity for mixed states. In the following we briefly summarize each chapter. In Chapter 1 we very briefly introduce the cold atom systems and the connection with QMC simulations. In Chapter 2 we review the QMC method based on the path integral (world line) representation. We focus on the directed worm algorithm which is an efficient algorithm with global updtae for bosonic and spin systems. All the following methods in this thesis – the method of two component bosonic systems, the reconstruction of entanglement spectrum and the measuring of partial transposed quantities, are based on directed worm algorithm introduced in this chapter. In Chapter 3 we discuss two component bosons in a square lattice. We show that the interspecies attraction and nearest-neighbor intraspecies repulsion result in the pair-supersolid phase, where a diagonal solid order coexists with an off-diagonal pair-superfluid order. The quantum and thermal transitions out of the pair-supersolid phase are characterized. It is found that there is a direct first-order transition from the pair-supersolid phase to the double-superfluid phase without an intermediate region. Furthermore, the melting of the pair-supersolid occurs in two steps. Upon heating, first the pair-superfluid is destroyed via a Kosterlitz-Thouless transition, then the solid order melts via an Ising transition. In Chapter 4 we represent a new method to reconstruct a subset of the entanglement spectrum of quantum many body systems by QMC, where the method can in principle be applied to two or higher dimension. The approach builds on the replica trick to evaluate particle number resolved traces of the first n of powers of a reduced density matrix. From this information we reconstruct first n entanglement spectrum levels using a polynomial root solver. We illustrate the power and limitations of the method by an application to the extended Bose-Hubbard model in one dimension where we are able to resolve the quasidegeneracy of the entanglement spectrum in the Haldane-insulator phase. In general, the method is able to reconstruct the largest few eigenvalues in each symmetry sector. In Chapter 5 we devise a Quantum Monte Carlo (QMC) method to calculate the moments of the partially transposed reduced density matrix at finite temperature. These are used to construct scale invariant combinations that are related to the negativity, a true measure of entanglement for two intervals embedded in a chain. In particular, we study several scale invariant combinations of the moments for the 1D hard-core boson model. For two adjacent intervals unusual finite size corrections are present, showing parity effects that oscillate with a filling dependent period. For large chains we find perfect agreement with conformal field theory (CFT) calculations. Oppositely, for disjoint intervals corrections are more severe and CFT is recovered only asymptotically. Furthermore, we provide evidence that their exponent is the same as that governing the corrections of the mutual information. Additionally we study the 1D Bose-Hubbard model in the superfluid phase. The finite-size effects are smaller and QMC data are already in impressive agreement with CFT at moderate large sizes.
We introduce a quantum Monte Carlo algorithm to measure the Rényi entanglement entropies in systems of interacting bosons in the continuum. This approach is based on a path-integral ground state method that can be applied to interacting itinerant bosons in any spatial dimension with direct relevance to experimental systems of quantum fluids. We demonstrate how it may be used to compute spatial mode entanglement, particle partitioned entanglement, and the entanglement of particles, providing insights into quantum correlations generated by fluctuations, indistinguishability, and interactions. We present proof-of-principle calculations and benchmark against an exactly soluble model of interacting bosons in one spatial dimension. As this algorithm retains the fundamental polynomial scaling of quantum Monte Carlo when applied to sign-problem-free models, future applications should allow for the study of entanglement entropy in large-scale many-body systems of interacting bosons.