Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:2605.14965

Analyzing the two-dimensional doped Hubbard model with the Worldvolume HMC method

Masafumi Fukuma, Yusuke Namekawa

Published May 14, 2026• 0 citations
arXivHTMLPDF

Abstract

We apply the Worldvolume Hybrid Monte Carlo (WV-HMC) method [arXiv:2012.08468] to the two-dimensional Hubbard model, which is known to suffer from a severe sign problem when the system is doped (away from half filling). We show that the method predicts physical observables with controlled statistical errors on an $8 \times 8$ lattice at temperature $T/t = 1/6.4 \approx 0.156$ and interaction strength $U/t = 8.0$ ($t$ is the hopping amplitude), for which the standard determinant quantum Monte Carlo fails.

DOI
10.48550/arxiv.2605.14965

Related papers

Analyzing the two-dimensional doped Hubbard model with the Worldvolume HMC method

Yusuke Namekawa, Masafumi Fukuma

We apply the Worldvolume Hybrid Monte Carlo (WV-HMC) method [arXiv:2012.08468] to the two-dimensional Hubbard model, which is known to suffer from a severe sign problem when the system is doped (away from half filling). We show that the method predicts physical observables with controlled statistical errors on an $8 \times 8$ lattice at temperature $T/t = 1/6.4 \approx 0.156$ and interaction strength $U/t = 8.0$ ($t$ is the hopping amplitude), for which the standard determinant quantum Monte Carlo fails.

International Symposium on Lattice Field Theory (LATTICE)•May 30, 2026•0 citations

Applying the Worldvolume Hybrid Monte Carlo method to the Hubbard model away from half filling

Masafumi Fukuma, Yusuke Namekawa

The Worldvolume Hybrid Monte Carlo (WV-HMC) method [arXiv:2012.08468] is an efficient algorithm for addressing the numerical sign problem at moderate computational cost. It mitigates the sign problem while avoiding the ergodicity issues inherent in approaches based on Lefschetz thimbles. In this study, we apply WV-HMC to the two-dimensional Hubbard model doped away from half filling, which is known to suffer from a severe sign problem. We compute the number density and the energy density on lattices of size $6 \times 6$ and $8 \times 8$ at temperature $T/t = 1/6.4 \simeq 0.156$ and interaction strength $U/t = 8.0$, using Trotter number $N_t = 20$ (Trotter step $ε= 0.32$). Our results demonstrate that WV-HMC remains effective even in parameter regimes where standard (non-thimble) determinant quantum Monte Carlo methods fail. In this work, fermion matrix inversions are performed using direct solvers, leading to a computational cost of $O(N^3)$, where $N$ denotes the number of degrees of freedom and is proportional to the spacetime lattice volume. An alternative algorithm employing pseudofermions and iterative solvers, which reduces the cost to $O(N^2)$ at the expense of careful parameter tuning, will be discussed in a separate publication.

arXiv:2507.23748•Jul 31, 2025•0 citations

Enhancing the ergodicity of Worldvolume HMC via embedding generalized thimble HMC

Masafumi Fukuma, Yusuke Namekawa

The Worldvolume Hybrid Monte Carlo (WV-HMC) method [arXiv:2012.08468] is an efficient and versatile algorithm that mitigates the sign problem while resolving the ergodicity issues inherent in Lefschetz-thimble approaches. We focus on cases where the maximum flow time can be kept small, such as when applying WV-HMC to the doped Hubbard model utilizing a redundant, nonphysical parameter. An optimal choice of this parameter significantly reduces the sign problem on the original integration surface. This allows for small flow times, thereby enabling the simulation of larger system sizes at a modest computational cost. However, when the worldvolume reduces to a thin layer, phase-space exploration becomes inefficient, and ergodicity problems may reemerge. To address this limitation in WV-HMC, we propose embedding generalized thimble HMC (GT-HMC) into the WV-HMC framework. GT-HMC performs updates on a single deformed surface at a fixed flow time. Despite its inherent ergodicity issues at the zeros of the Boltzmann weight, GT-HMC efficiently explores the allowed region and typically permits larger molecular dynamics step sizes than WV-HMC. Consequently, it is highly effective in regions where ergodicity issues are less severe. We prove that GT-HMC can be consistently embedded within WV-HMC and confirm that the standalone and combined algorithms agree within statistical errors for the two-dimensional doped Hubbard model on an $8 \times 8$ lattice. This combined algorithm enables simulations on larger spacetime lattices. We demonstrate the feasibility of this approach by extrapolating the number and energy densities to the zero Trotter step limit at fixed temperature $T/t = 1/6.4\simeq 0.156$ and repulsive interaction $U/t = 8.0$. Even with modest sample sizes, we achieve controlled statistical errors across the entire range of the chemical potential.

arXiv:2508.02659•Aug 4, 2025•0 citations

Benchmark study of the two-dimensional Hubbard model with auxiliary-field quantum Monte Carlo method

Mingpu Qin, Hao Shi, Shiwei Zhang

Ground-state properties of the Hubbard model on a two-dimensional square lattice are studied by the auxiliary-field quantum Monte Carlo method. Accurate results for energy, double occupancy, effective hopping, magnetization, and momentum distribution are calculated for interaction strengths of $U/t$ from 2 to 8, for a range of densities including half-filling and $n=0.3,0.5,0.6,\phantom{\rule{0.16em}{0ex}}0.75$, and $0.875$. At half-filling, the results are numerically exact. Away from half-filling, the constrained path Monte Carlo method is employed to control the sign problem. Our results are obtained with several advances in the computational algorithm, which are described in detail. We discuss the advantages of generalized Hartree-Fock trial wave functions and its connection to pairing wave functions, as well as the interplay with different forms of Hubbard-Stratonovich decompositions. We study the use of different twist angle sets when applying the twist averaged boundary conditions. We propose the use of quasirandom sequences, which improves the convergence to the thermodynamic limit over pseudorandom and other sequences. With it and a careful finite size scaling analysis, we are able to obtain accurate values of ground-state properties in the thermodynamic limit. Detailed results for finite-sized systems up to $16\ifmmode\times\else\texttimes\fi{}16$ are also provided for benchmark purposes.

arXiv:1605.09421•Physical review. B./Physical review. B•Aug 4, 2016•100 citations

Determinantal and worldline quantum Monte Carlo methods for many-body systems

Marco Vekić, Steven R. White

We examine three different quantum Monte Carlo methods for studying systems of interacting particles. The determinantal quantum Monte Carlo method is compared to two different worldline simulations. The first worldline method consists of a simulation carried out in the real-space basis, while the second method is implemented using as basis the eigenstates of the Hamiltonian on blocks of the two-dimensional lattice. We look, in particular, at the Hubbard model on a 4\ifmmode\times\else\texttimes\fi{}4 lattice with periodic boundary conditions. The block method is superior to the real-space method in terms of the computational cost of the simulation, but shows a much worse negative sign problem. For larger values of U and away from half-filling it is found that the real-space method can provide results at lower temperatures than the determinantal method. We show that the sign problem in the block method can be slightly improved by an appropriate choice of basis.

Physical review. B, Condensed matter•Jun 15, 1993•2 citations

Hubbard model with smooth boundary conditions

Marco Vekić, Steven R. White

We apply recently developed smooth boundary conditions to the quantum Monte Carlo simulation of the two-dimensional Hubbard model. At half-filling, where there is no sign problem, we show that the thermodynamic limit is reached more rapidly with smooth rather than with periodic or open boundary conditions. Away from half-filling, where ordinarily the simulation cannot be carried out at low temperatures due to the existence of the sign problem, we show that smooth boundary conditions allow us to reach significantly lower temperatures. We examine pairing correlation functions away from half-filling in order to determine the possible existence of a superconducting state. On a 10\ifmmode\times\else\texttimes\fi{}10 lattice for $U=4$, at a filling of $〈n〉=0.87$ and an inverse temperature of $\ensuremath{\beta}=10$, we find enhancement of the $d$-wave correlations with respect to the noninteracting case, a possible sign of $d$-wave superconductivity.

arXiv:cond-mat/9601009•Physical review. B, Condensed matter•Jun 1, 1996•23 citations
We apply the Worldvolume Hybrid Monte Carlo (WV-HMC) method [arXiv:2012.08468] to the two-dimensional Hubbard model, which is known to suffer from a severe sign problem when the system is doped (away from half filling). We show that the method predicts physical observables with controlled statistical errors on an 8×88 \times 88×8 lattice at temperature T/t=1/6.4≈0.156T/t = 1/6.4 \approx 0.156T/t=1/6.4≈0.156 and interaction strength U/t=8.0U/t = 8.0U/t=8.0 (ttt is the hopping amplitude), for which the standard determinant quantum Monte Carlo fails.
We apply the Worldvolume Hybrid Monte Carlo (WV-HMC) method [arXiv:2012.08468] to the two-dimensional Hubbard model, which is known to suffer from a severe sign problem when the system is doped (away from half filling). We show that the method predicts physical observables with controlled statistical errors on an 8×88 \times 88×8 lattice at temperature T/t=1/6.4≈0.156T/t = 1/6.4 \approx 0.156T/t=1/6.4≈0.156 and interaction strength U/t=8.0U/t = 8.0U/t=8.0 (ttt is the hopping amplitude), for which the standard determinant quantum Monte Carlo fails.
The Worldvolume Hybrid Monte Carlo (WV-HMC) method [arXiv:2012.08468] is an efficient algorithm for addressing the numerical sign problem at moderate computational cost. It mitigates the sign problem while avoiding the ergodicity issues inherent in approaches based on Lefschetz thimbles. In this study, we apply WV-HMC to the two-dimensional Hubbard model doped away from half filling, which is known to suffer from a severe sign problem. We compute the number density and the energy density on lattices of size 6×66 \times 66×6 and 8×88 \times 88×8 at temperature T/t=1/6.4≃0.156T/t = 1/6.4 \simeq 0.156T/t=1/6.4≃0.156 and interaction strength U/t=8.0U/t = 8.0U/t=8.0, using Trotter number Nt=20N_t = 20Nt​=20 (Trotter step ε=0.32ε= 0.32ε=0.32). Our results demonstrate that WV-HMC remains effective even in parameter regimes where standard (non-thimble) determinant quantum Monte Carlo methods fail. In this work, fermion matrix inversions are performed using direct solvers, leading to a computational cost of O(N3)O(N^3)O(N3), where NNN denotes the number of degrees of freedom and is proportional to the spacetime lattice volume. An alternative algorithm employing pseudofermions and iterative solvers, which reduces the cost to O(N2)O(N^2)O(N2) at the expense of careful parameter tuning, will be discussed in a separate publication.
The Worldvolume Hybrid Monte Carlo (WV-HMC) method [arXiv:2012.08468] is an efficient and versatile algorithm that mitigates the sign problem while resolving the ergodicity issues inherent in Lefschetz-thimble approaches. We focus on cases where the maximum flow time can be kept small, such as when applying WV-HMC to the doped Hubbard model utilizing a redundant, nonphysical parameter. An optimal choice of this parameter significantly reduces the sign problem on the original integration surface. This allows for small flow times, thereby enabling the simulation of larger system sizes at a modest computational cost. However, when the worldvolume reduces to a thin layer, phase-space exploration becomes inefficient, and ergodicity problems may reemerge. To address this limitation in WV-HMC, we propose embedding generalized thimble HMC (GT-HMC) into the WV-HMC framework. GT-HMC performs updates on a single deformed surface at a fixed flow time. Despite its inherent ergodicity issues at the zeros of the Boltzmann weight, GT-HMC efficiently explores the allowed region and typically permits larger molecular dynamics step sizes than WV-HMC. Consequently, it is highly effective in regions where ergodicity issues are less severe. We prove that GT-HMC can be consistently embedded within WV-HMC and confirm that the standalone and combined algorithms agree within statistical errors for the two-dimensional doped Hubbard model on an 8×88 \times 88×8 lattice. This combined algorithm enables simulations on larger spacetime lattices. We demonstrate the feasibility of this approach by extrapolating the number and energy densities to the zero Trotter step limit at fixed temperature T/t=1/6.4≃0.156T/t = 1/6.4\simeq 0.156T/t=1/6.4≃0.156 and repulsive interaction U/t=8.0U/t = 8.0U/t=8.0. Even with modest sample sizes, we achieve controlled statistical errors across the entire range of the chemical potential.
Ground-state properties of the Hubbard model on a two-dimensional square lattice are studied by the auxiliary-field quantum Monte Carlo method. Accurate results for energy, double occupancy, effective hopping, magnetization, and momentum distribution are calculated for interaction strengths of U/tU/tU/t from 2 to 8, for a range of densities including half-filling and n=0.3,0.5,0.6,0.75n=0.3,0.5,0.6,\phantom{\rule{0.16em}{0ex}}0.75n=0.3,0.5,0.6,0.75, and 0.8750.8750.875. At half-filling, the results are numerically exact. Away from half-filling, the constrained path Monte Carlo method is employed to control the sign problem. Our results are obtained with several advances in the computational algorithm, which are described in detail. We discuss the advantages of generalized Hartree-Fock trial wave functions and its connection to pairing wave functions, as well as the interplay with different forms of Hubbard-Stratonovich decompositions. We study the use of different twist angle sets when applying the twist averaged boundary conditions. We propose the use of quasirandom sequences, which improves the convergence to the thermodynamic limit over pseudorandom and other sequences. With it and a careful finite size scaling analysis, we are able to obtain accurate values of ground-state properties in the thermodynamic limit. Detailed results for finite-sized systems up to $16\ifmmode\times\else\texttimes\fi{}16$ are also provided for benchmark purposes.
We examine three different quantum Monte Carlo methods for studying systems of interacting particles. The determinantal quantum Monte Carlo method is compared to two different worldline simulations. The first worldline method consists of a simulation carried out in the real-space basis, while the second method is implemented using as basis the eigenstates of the Hamiltonian on blocks of the two-dimensional lattice. We look, in particular, at the Hubbard model on a 4\ifmmode\times\else\texttimes\fi{}4 lattice with periodic boundary conditions. The block method is superior to the real-space method in terms of the computational cost of the simulation, but shows a much worse negative sign problem. For larger values of U and away from half-filling it is found that the real-space method can provide results at lower temperatures than the determinantal method. We show that the sign problem in the block method can be slightly improved by an appropriate choice of basis.
We apply recently developed smooth boundary conditions to the quantum Monte Carlo simulation of the two-dimensional Hubbard model. At half-filling, where there is no sign problem, we show that the thermodynamic limit is reached more rapidly with smooth rather than with periodic or open boundary conditions. Away from half-filling, where ordinarily the simulation cannot be carried out at low temperatures due to the existence of the sign problem, we show that smooth boundary conditions allow us to reach significantly lower temperatures. We examine pairing correlation functions away from half-filling in order to determine the possible existence of a superconducting state. On a 10\ifmmode\times\else\texttimes\fi{}10 lattice for U=4U=4U=4, at a filling of 〈n〉=0.87〈n〉=0.87〈n〉=0.87 and an inverse temperature of $\ensuremath{\beta}=10$, we find enhancement of the ddd-wave correlations with respect to the noninteracting case, a possible sign of ddd-wave superconductivity.