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In recent years, the quantum computing method has been used to address the sign problem in traditional Monte Carlo lattice gauge theory (LGT) simulations. We propose that the Coulomb gauge (CG) should be used in quantum simulations of LGT.…
The sign problem is a key challenge in computational physics, encapsulating our inability to properly understand many important quantum many-body phenomena in physics, chemistry and the material sciences. Despite its centrality, the…
Explicit treatment of many-body Fermi statistics in path integral Monte Carlo (PIMC) results in exponentially scaling computational cost due to the near cancellation of contributions to observables from even and odd permutations. Through…
Quantum Monte Carlo simulations provide one of the more powerful and versatile numerical approaches to condensed matter systems. However, their application to frustrated quantum spin models, in all relevant temperature regimes, is hamstrung…
This article gives an introduction to the multilevel blocking (MLB) approach to both the fermion and the dynamical sign problem in path-integral Monte Carlo simulations. MLB is able to substantially relieve the sign problem in many…
Numerical simulations of numerous quantum systems suffer from the notorious sign problem. Meron-cluster algorithms lead to an efficient solution of sign problems for both fermionic and bosonic models. Here we apply the meron concept to…
Two formidable bottlenecks to the applicability of QMC include: (1) the sign problem and (2) algorithmic update inefficiencies. In this thesis, I overcome both these difficulties for a class of problems by extending the fermion bag approach…
In lattice field theory, the interactions of elementary particles can be computed via high-dimensional integrals. Markov-chain Monte Carlo (MCMC) methods based on importance sampling are normally efficient to solve most of these integrals.…
For strongly quantum-degenerate systems at finite temperatures, the fermion sign problem remains the major obstacle to first-principles simulations. In this work, we apply the recently proposed pseudo-fermion method - designed to overcome…
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…
Being motivated by the surge of fermionic quantum Monte Carlo simulations at finite temperature, we present a detailed analysis of the permutation-cycle properties of path integral Monte Carlo (PIMC) simulations of degenerate electrons.…
Aiming at evading the notorious sign problem in classical Monte-Carlo approaches to lattice quantum chromodynamics, we present an approach for quantum computing finite-temperature lattice gauge theories at non-zero density. Based on the…
The negative sign problem in quantum Monte Carlo (QMC) simulations of cluster impurity problems is the major bottleneck in cluster dynamical mean field calculations. In this paper we systematically investigate the dependence of the sign…
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…
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…
Using fermionic representation of spin degrees of freedom within the Popov-Fedotov approach we develop an algorithm for Monte Carlo sampling of skeleton Feynman diagrams for Heisenberg type models. Our scheme works without modifications for…
We provide an extension to lattice systems of the reptation quantum Monte Carlo algorithm, originally devised for continuous Hamiltonians. For systems affected by the sign problem, a method to systematically improve upon the so-called…
This is a review of recent developments in Monte Carlo methods in the field of ultra cold gases. For bosonic atoms in an optical lattice we discuss path integral Monte Carlo simulations with worm updates and show the excellent agreement…
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…
The microscopic mechanism of itinerant ferromagnetism is a long-standing problem due to the lack of non-perturbative methods to handle strong magnetic fluctuations of itinerant electrons. We have non-pertubatively studied thermodynamic…