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The absence of negative sign problem in quantum Monte Carlo simulations of spin and fermion systems has different origins. World-line based algorithms for spins require positivity of matrix elements whereas auxiliary field approaches for…

Strongly Correlated Electrons · Physics 2018-03-14 Toshihiro Sato , Fakher F. Assaad , Tarun Grover

We present a whole series of novel methods to alleviate the sign problem of the Fermionic Shadow Wave Function in the context of Variational Monte Carlo. The effectiveness of our new techniques is demonstrated on the example of liquid 3He.…

Computational Physics · Physics 2015-04-21 Francesco Calcavecchia , Francesco Pederiva , Malvin H. Kalos , Thomas D. Kühne

State-of-the-art machine learning techniques promise to become a powerful tool in statistical mechanics via their capacity to distinguish different phases of matter in an automated way. Here we demonstrate that convolutional neural networks…

Strongly Correlated Electrons · Physics 2017-08-23 Peter Broecker , Juan Carrasquilla , Roger G. Melko , Simon Trebst

Monte Carlo simulations are useful tools for modeling quantum systems, but in some cases they suffer from a sign problem, leading to an exponential slow down in their convergence to a value. While solving the sign problem is generically…

Quantum Physics · Physics 2022-12-21 T. C. Mooney , Jacob Bringewatt , Neill C. Warrington , Lucas T. Brady

We introduce a simple determinant diagrammatic Monte Carlo algorithm to compute the ground-state properties of a particle interacting with a Fermi sea through a zero-range interaction. The fermionic sign does not cause any fundamental…

Quantum Gases · Physics 2020-01-31 K. Van Houcke , F. Werner , R. Rossi

A numerical method is presented for reproducing fermionic quantum gas microscope experiments in equilibrium. By employing nested componentwise direct sampling of fermion pseudo-density matrices, as they arise naturally in determinantal…

Quantum Gases · Physics 2021-08-31 Stephan Humeniuk , Yuan Wan

Quantum field theories (QFTs) at finite densities of matter generically involve complex actions. Standard Monte-Carlo simulations based upon importance sampling, which have been producing quantitative first principle results in particle…

High Energy Physics - Lattice · Physics 2016-08-24 Christof Gattringer , Kurt Langfeld

We propose a novel approach toward the general solution of the sign problem in real-time path-integral simulations. Using a recursive multilevel blocking strategy, this method circumvents the sign problem by synthesizing the phase…

Chemical Physics · Physics 2009-10-31 C. H. Mak , R. Egger

We analyze the accuracy and sample complexity of variational Monte Carlo approaches to simulate the dynamics of many-body quantum systems classically. By systematically studying the relevant stochastic estimators, we are able to: (i) prove…

Quantum Physics · Physics 2023-10-11 Alessandro Sinibaldi , Clemens Giuliani , Giuseppe Carleo , Filippo Vicentini

Markov chain Monte Carlo methods are a powerful tool for sampling equilibrium configurations in complex systems. One problem these methods often face is slow convergence over large energy barriers. In this work, we propose a novel method…

Computational Physics · Physics 2024-05-29 Luigi Sbailò , Manuel Dibak , Frank Noé

Within Full Configuration Interaction Quantum Monte Carlo, we investigate how the statistical error behaves as a function of the parameters which control the stochastic sampling. We define the inefficiency as a measure of the statistical…

Chemical Physics · Physics 2016-03-15 W. A. Vigor , J. S. Spencer , M. J. Bearpark , A. J. W. Thom

We present a numerically exact Inchworm Monte Carlo method for equilibrium multiorbital quantum impurity problems with general interactions and hybridizations. We show that the method, originally developed to overcome the dynamical sign…

Strongly Correlated Electrons · Physics 2020-05-25 Eitan Eidelstein , Emanuel Gull , Guy Cohen

The self-healing diffusion Monte Carlo algorithm (SHDMC) [Phys. Rev. B {\bf 79}, 195117 (2009), {\it ibid.} {\bf 80}, 125110 (2009)] is shown to be an accurate and robust method for calculating the ground state of atoms and molecules. By…

Strongly Correlated Electrons · Physics 2015-05-14 Michal Bajdich , Murilo L. Tiago , Randolph Q. Hood , Paul R. C. Kent , Fernando A. Reboredo

It is shown that a class of separately frustration-free (SFF) Hamiltonians can be Monte Carlo simulated efficiently on a classical computing machine, because such an SFF Hamiltonian corresponds to a Gibbs wavefunction whose nodal structure…

General Physics · Physics 2021-12-30 David H. Wei

Quantum Monte Carlo (QMC) methods represent a powerful family of computational techniques for tackling complex quantum many-body problems and performing calculations of stationary state properties. QMC is among the most accurate and…

Materials Science · Physics 2025-01-08 Alfonso Annarelli , Dario Alfè , Andrea Zen

Frustrated spin systems generically suffer from the negative sign problem inherent to Monte Carlo methods. Since the severity of this problem is formulation dependent, optimization strategies can be put forward. We introduce a phase pinning…

Strongly Correlated Electrons · Physics 2021-08-18 Toshihiro Sato , Fakher F. Assaad

We construct a quantum Monte Carlo algorithm for interacting fermions using the two-body density as the fundamental quantity. The central idea is mapping the interacting fermionic system onto an auxiliary system of interacting bosons. The…

Statistical Mechanics · Physics 2008-07-30 Balazs Hetenyi , L. Brualla , S. Fantoni

The great majority of algorithms employed in the study of lattice field theory are based on Monte Carlo's importance sampling method, i.e. on probability interpretation of the Boltzmann weight. Unfortunately in many theories of interest one…

High Energy Physics - Lattice · Physics 2016-06-03 Lorenzo Bongiovanni

A new method for the stabilization of the sign problem in the Green Function Monte Carlo technique is proposed. The method is devised for real lattice Hamiltonians and is based on an iterative ''stochastic reconfiguration'' scheme which…

Condensed Matter · Physics 2009-10-31 S. Sorella

The shell model Monte Carlo (SMMC) method is a powerful method for calculating exactly (up to statistical errors) thermal observables and statistical properties of atomic nuclei. However, its application has been limited by a sign problem…

Nuclear Theory · Physics 2025-01-08 Y. Alhassid , P. Fanto , C. Özen