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Strongly correlated fermionic systems are of great interest in condensed matter physics and numerical methods are indispensable tools for their study. However, existing approaches such as exact diagonalization (ED) and stochastic quantum…

Strongly Correlated Electrons · Physics 2026-03-19 Finn L. Temmen , Martina Gisti , David J. Luitz , Thomas Luu , Johann Ostmeyer

We tutorially review the determinantal Quantum Monte Carlo method for fermionic systems, using the Hubbard model as a case study. Starting with the basic ingredients of Monte Carlo simulations for classical systems, we introduce aspects…

Strongly Correlated Electrons · Physics 2007-05-23 Raimundo R. dos Santos

In this work we solve the sign problem of a frustrated quantum impurity model consisting of three quantum spin-half chains interacting through an anti-ferromagnetic Heisenberg interaction at one end. We first map the model into a repulsive…

Strongly Correlated Electrons · Physics 2017-04-03 Connor T. Hann , Emilie Huffman , Shailesh Chandrasekharan

We present a method for performing path integral molecular dynamics (PIMD) simulations for fermions and address its sign problem. PIMD simulations are widely used for studying many-body quantum systems at thermal equilibrium. However, they…

Chemical Physics · Physics 2020-05-07 Barak Hirshberg , Michele Invernizzi , Michele Parrinello

The bilayer Hubbard model describes the antiferromagnet to spin singlet transition and, potentially, aspects of the physics of unconventional superconductors. Despite these important applications, significant aspects of its `phase diagram'…

Strongly Correlated Electrons · Physics 2022-09-19 Yingping Mou , Rubem Mondaini , Richard T. Scalettar

This paper presents a method for alleviating sign problems in lattice path integrals, including those associated with finite fermion density in relativistic systems. The method makes use of information gained from some systematic expansion…

High Energy Physics - Lattice · Physics 2020-11-11 Scott Lawrence

A simulation method based on the RG blocking is shown to yield statistical errors smaller than that of the crude MC using absolute values of the original measures. The new method is particularly suitable to apply to the sign problem of…

High Energy Physics - Lattice · Physics 2007-05-23 J. F. Markham , T. D. Kieu

This review summarizes recent developments in the study of fermionic quantum criticality, focusing on new progress in numerical methodologies, especially quantum Monte Carlo methods, and insights that emerged from recently large-scale…

Strongly Correlated Electrons · Physics 2019-09-10 Xiao Yan Xu , Zi Hong Liu , Gaopei Pan , Yang Qi , Kai Sun , Zi Yang Meng

In this paper, we discover a new quantum Monte Carlo (QMC) method to solve the fermion sign problem in interacting fermion models by employing Majorana representation of complex fermions. We call it "Majorana QMC" (MQMC). Especially, MQMC…

Strongly Correlated Electrons · Physics 2015-07-22 Zi-Xiang Li , Yi-Fan Jiang , Hong Yao

Simulating models for quantum correlated matter unveils the inherent limitations of deterministic classical computations. In particular, in the case of quantum Monte Carlo methods, this is manifested by the emergence of negative weight…

Strongly Correlated Electrons · Physics 2022-11-23 Tian-Cheng Yi , Richard T. Scalettar , Rubem Mondaini

Finding the ground state of a fermionic Hamiltonian using quantum Monte Carlo is a very difficult problem, due to the Fermi sign problem. While still scaling exponentially, full configuration-interaction Monte Carlo (FCI-QMC) mitigates some…

Computational Physics · Physics 2013-12-17 Michael H. Kolodrubetz , Bryan K. Clark

We propose a new quantum Monte Carlo algorithm to compute fermion ground-state properties. The ground state is projected from an initial wavefunction by a branching random walk in an over-complete basis space of Slater determinants. By…

Condensed Matter · Physics 2016-08-31 Shiwei Zhang , J. Carlson , J. E. Gubernatis

Quantum Monte Carlo simulations, while being efficient for bosons, suffer from the "negative sign problem'' when applied to fermions - causing an exponential increase of the computing time with the number of particles. A polynomial time…

Statistical Mechanics · Physics 2007-05-23 Matthias Troyer , Uwe-Jens Wiese

It is commonly believed that in quantum Monte Carlo approaches to fermionic many- body problems, the infamous sign problem generically implies prohibitively large computational times for obtaining thermodynamic-limit quantities. We point…

Strongly Correlated Electrons · Physics 2017-06-13 R. Rossi , N. Prokof'ev , B. Svistunov , K. Van Houcke , F. Werner

We use the Shadow Wave Function formalism as a convenient model to study the fermion sign problem affecting all projector Quantum Monte Carlo methods in continuum space. We demonstrate that the efficiency of imaginary time projection…

Computational Physics · Physics 2016-05-04 Francesco Calcavecchia , Markus Holzmann

We explore different ways of incorporating accurate trial wave functions into free projection auxiliary field quantum Monte Carlo (fp-AFQMC). Trial states employed include coupled cluster singles and doubles, multi-Slater, and symmetry…

Chemical Physics · Physics 2021-04-15 Ankit Mahajan , Sandeep Sharma

Ab-initio Monte Carlo simulations of strongly-interacting fermionic systems are plagued by the fermion sign problem, making the non-perturbative study of many interesting regimes of dense quantum matter, or of theories of odd numbers of…

High Energy Physics - Lattice · Physics 2024-03-05 Debasish Banerjee , Emilie Huffman

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 simple trick that allows to consider the sum of all connected Feynman diagrams at fixed position of interaction vertices for general fermionic models. With our approach one achieves superior performance compared to Diagrammatic…

Strongly Correlated Electrons · Physics 2017-08-02 Riccardo Rossi

We combine the recent $\eta-$ensemble path integral Monte Carlo (PIMC) approach to the free energy [T.~Dornheim \textit{et al.}, \textit{Phys.~Rev.~B} \textbf{111}, L041114 (2025)] with a recent fictitious partition function technique based…