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The auxiliary-field quantum Monte Carlo (AFQMC) method is a general numerical method for correlated many-electron systems, which is being increasingly applied in lattice models, atoms, molecules, and solids. Here we introduce the theory and…

Computational Physics · Physics 2021-02-24 Hao Shi , Shiwei Zhang

We introduce the adiabatic quantum Monte Carlo (AQMC) method, where we gradually crank up the interaction strength, as an amelioration of the sign problem. It is motivated by the adiabatic theorem and will approach the true ground-state if…

Strongly Correlated Electrons · Physics 2021-11-18 Mohammad-Sadegh Vaezi , Amir-Reza Negari , Amin Moharramipour , Abolhassan Vaezi

The fermion sign problem constitutes one of the most fundamental obstacles in quantum many-body theory. Recently, it has been suggested to circumvent the sign problem by carrying out path integral simulations with a fictitious quantum…

Building on recent solutions of the fermion sign problem for specific models we present two continuous-time quantum Monte Carlo methods for efficient simulation of mass-imbalanced Hubbard models on bipartite lattices at half-filling. For…

Strongly Correlated Electrons · Physics 2015-12-18 Ye-Hua Liu , Lei Wang

The quantum Monte Carlo method on asymptotic Lefschetz thimbles is a numerical algorithm devised specifically for alleviation of the sign problem appearing in the simulations of quantum many-body systems. In this method, the sign problem is…

Strongly Correlated Electrons · Physics 2021-10-26 Petr A. Mishchenko , Yasuyuki Kato , Yukitoshi Motome

For important classes of many-fermion problems, quantum Monte Carlo (QMC) methods allow exact calculations of ground-state and finite-temperature properties, without the sign problem. The list spans condensed matter, nuclear physics, and…

Computational Physics · Physics 2016-03-23 Hao Shi , Shiwei Zhang

We introduce a Quantum Monte Carlo (QMC) method which efficiently simulates in a sign-problem-free way a broad class of frustrated $S=1/2$ models with competing antiferromagnetic interactions. Our scheme uses the basis of total spin…

Strongly Correlated Electrons · Physics 2016-11-09 Fabien Alet , Kedar Damle , Sumiran Pujari

We present a general technique for addressing sign problems that arise in Monte Carlo simulations of field theories. This method deforms the domain of the path integral to a manifold in complex field space that maximizes the average sign…

High Energy Physics - Lattice · Physics 2018-06-06 Andrei Alexandru , Paulo Bedaque , Henry Lamm , Scott Lawrence

Auxiliary Field Quantum Monte Carlo (AFQMC) has emerged as a powerful framework for treating strongly correlated electronic systems, offering a favorable balance between computational cost and accuracy. In this paper, we present a novel…

Chemical Physics · Physics 2026-04-03 Maxine Luo , Victor Chen , Yu Wang , Christian B. Mendl

Ab initio auxiliary-field quantum Monte Carlo (AFQMC) is a systematically improvable many-body method, but its application to extended solids has been severely limited by unfavorable computational scaling and memory requirements that…

Strongly Correlated Electrons · Physics 2026-02-25 Jinghong Zhang , Meng-Fu Chen , Adam Rettig , Tong Jiang , Paul J. Robinson , Hieu Q. Dinh , Anton Z. Ni , Joonho Lee

We introduce a method that combines the power of both the lattice Green function Monte Carlo (LGFMC) with the auxiliary field techniques (AFQMC), and allows us to compute exact ground state properties of the Hubbard model for U<~ 4t on…

Strongly Correlated Electrons · Physics 2015-06-03 Sandro Sorella

We present a new Monte Carlo algorithm for simulating quantum spin systems which is able to suppress the negative sign problem. This algorithm has only a linear complexity in the lattice size used for the simulation. A general description…

High Energy Physics - Lattice · Physics 2007-05-23 A. Galli

Quantum Monte Carlo (QMC) is a family of powerful tools for addressing quantum many-body problems. However, its applications are often plagued by the fermionic sign problem. A promising strategy is to simulate an interaction without sign…

Nuclear Theory · Physics 2025-05-01 Jun Liu , Teng Wang , Bing-Nan Lu

A general algorithm toward the solution of the fermion sign problem in finite-temperature quantum Monte Carlo simulations has been formulated for discretized fermion path integrals with nearest-neighbor interactions in the Trotter…

Statistical Mechanics · Physics 2009-10-31 C. H. Mak , R. Egger , H. Weber-Gottschick

We introduce a Monte Carlo scheme for sampling bold-line diagrammatic series specifying an unknown function in terms of itself. The range of convergence of this bold(-line) diagrammatic Monte Carlo (BMC) is significantly broader than that…

Statistical Mechanics · Physics 2009-11-13 Nikolay Prokof'ev , Boris Svistunov

The Auxiliary-Field Quantum Monte Carlo (AFQMC) algorithm is a powerful quantum many-body method that can be used successfully as an alternative to standard quantum chemistry approaches to compute the ground state of many body systems, such…

Chemical Physics · Physics 2018-07-23 Edgar Josué Landinez Borda , John A. Gomez , Miguel A. Morales

Quantum Monte Carlo methods are powerful techniques for studying strongly interacting Fermi systems. However, implementing these methods on computers with finite-precision arithmetic requires careful attention to numerical stability. In the…

Computational Physics · Physics 2015-05-20 C. N. Gilbreth , Y. Alhassid

Quantum Monte Carlo (QMC) methods are one of the most important tools for studying interacting quantum many-body systems. The vast majority of QMC calculations in interacting fermion systems require a constraint to control the sign problem.…

Strongly Correlated Electrons · Physics 2016-12-08 Mingpu Qin , Hao Shi , Shiwei Zhang

We introduce a new numerical technique -- bosonic auxiliary-field Monte Carlo (bAFMC) -- which allows to calculate the thermal properties of large lattice-boson systems within a systematically improvable semiclassical approach, and which is…

Strongly Correlated Electrons · Physics 2017-08-02 Daniele Malpetti , Tommaso Roscilde

We discuss finite temperature quantum Monte Carlo methods in the framework of the interacting nuclear shell model. The methods are based on a representation of the imaginary-time many-body propagator as a superposition of one-body…

Nuclear Theory · Physics 2009-11-06 Y. Alhassid