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We discuss the main aspects of the fixed-node quantum Monte Carlo method for lattice fermions and its recent application to the problem of phase separation in the 2D Hubbard model, along with virtues, limitations and perspectives of this…

Strongly Correlated Electrons · Physics 2007-05-23 Giovanni B. Bachelet , Andrea C. Cosentini

A modification to the setup algorithm for the multigrid preconditioner of Wilson fermions in lattice QCD is presented. A larger basis of test vectors than that used in conventional multigrid is calculated by the smoother and truncated by…

High Energy Physics - Lattice · Physics 2025-05-21 Travis Whyte , Andreas Stathopoulos , Eloy Romero

We describe a new Hybrid Monte Carlo (HMC) algorithm for dynamical overlap fermions, which improves the rate of topological index changes by adding an additional (intensive) term to the action for the molecular dynamics part of the…

High Energy Physics - Lattice · Physics 2012-02-28 Nigel Cundy , Weonjong Lee

Sampling from hierarchical Bayesian models is often difficult for MCMC methods, because of the strong correlations between the model parameters and the hyperparameters. Recent Riemannian manifold Hamiltonian Monte Carlo (RMHMC) methods have…

Computation · Statistics 2014-06-17 Yichuan Zhang , Charles Sutton

One of the many remarkable properties of graphene is that in the low energy limit the dynamics of its electrons can be effectively described by the massless Dirac equation. This has prompted investigations of graphene based on the lattice…

High Energy Physics - Lattice · Physics 2012-04-25 Richard Brower , Claudio Rebbi , David Schaich

We present a new procedure to determine Parton Distribution Functions (PDFs), based on Markov Chain Monte Carlo (MCMC) methods. The aim of this paper is to show that we can replace the standard $\chi^2$ minimization by procedures grounded…

High Energy Physics - Phenomenology · Physics 2017-11-07 Yémalin Gabin Gbedo , Mariane Mangin-Brinet

Large N gauge theories with adjoint matter can be numerically studied using lattice techniques. Eguchi-Kawai reductions holds for this theory and one can reduce the lattice model to a single site. Hybrid Monte Carlo algorithm can be used to…

High Energy Physics - Lattice · Physics 2015-03-19 R. Narayanan

A hybrid Monte Carlo (HMC) approach is employed to quantify the influence of inelastic deformation on the microstructural evolution of polycrystalline materials. This approach couples a time explicit material point method (MPM) for…

Materials Science · Physics 2015-05-19 Liangzhe Zhang , Remi Dingreville , Timothy Bartel , Mark T. Lusk

The basic idea of fast Monte Carlo (MC) simulations is to perform particle-based MC simulations with the excluded-volume interactions modeled by "soft" repulsive potentials that allow particle overlapping. This gives much faster system…

Soft Condensed Matter · Physics 2012-01-24 Qiang Wang

We investigate instability and reversibility within Hybrid Monte Carlo simulations using a non-perturbatively improved Wilson action. We demonstrate the onset of instability as tolerance parameters and molecular dynamics step sizes are…

A parallelizable SSOR preconditioning scheme for Krylov subspace iterative solvers in lattice QCD applications involving Wilson fermions is presented. In actual Hybrid Monte Carlo and quark propagator calculations it helps to reduce the…

High Energy Physics - Lattice · Physics 2009-10-28 S. Fischer , A. Frommer , U. Glaessner , S. Guesken , H. Hoeber , Th. Lippert , G. Ritzenhoefer , K. Schilling , G. Siegert , A. Spitz

Hamiltonian Monte Carlo (HMC) is a popular Markov chain Monte Carlo (MCMC) algorithm that generates proposals for a Metropolis-Hastings algorithm by simulating the dynamics of a Hamiltonian system. However, HMC is sensitive to large time…

Machine Learning · Statistics 2016-09-15 Xiaoyu Lu , Valerio Perrone , Leonard Hasenclever , Yee Whye Teh , Sebastian J. Vollmer

The status of topology on the lattice is reviewed. Recent results show that the topological susceptibility chi can be unambigously determined. Different methods, if properly implemented, give results consistent with each other. For SU(3)…

High Energy Physics - Lattice · Physics 2007-05-23 A. Di Giacomo

We compare the Hybrid Monte Carlo (HMC) and the Kramers equation algorithms for simulations of QCD with two flavors of dynamical Wilson fermions and gauge group $SU(2)$. The results for the performance of both algorithms are obtained on…

High Energy Physics - Lattice · Physics 2009-10-28 Karl Jansen , Chuan Liu

Monte Carlo methods represent a cornerstone of computer science. They allow to sample high dimensional distribution functions in an efficient way. In this paper we consider the extension of Automatic Differentiation (AD) techniques to Monte…

High Energy Physics - Lattice · Physics 2023-07-31 Guilherme Catumba , Alberto Ramos , Bryan Zaldivar

One of the most significant drawbacks of the all-electron ab initio diffusion Monte Carlo (DMC) is that its computational cost drastically increases with the atomic number ($Z$), which typically scales with $Z^{\sim 6}$. In this study, we…

Computational Physics · Physics 2020-04-15 Kousuke Nakano , Ryo Maezono , Sandro Sorella

We consider the problem of including $\Lambda$ hyperons into the ab initio framework of nuclear lattice effective field theory. In order to avoid large sign oscillations in Monte Carlo simulations, we make use of the fact that the number of…

Nuclear Theory · Physics 2020-11-30 Dillon Frame , Timo A. Lähde , Dean Lee , Ulf-G. Meißner

We present in detail two variants of the lattice Monte Carlo method aimed at tackling systems in external trapping potentials: a uniform-lattice approach with hard-wall boundary conditions, and a non-uniform Gauss-Hermite lattice approach.…

Quantum Gases · Physics 2016-09-20 Casey E. Berger , Joaquín E. Drut , William J. Porter

Hubbard-type models on the hexagonal lattice are of great interest, as they provide realistic descriptions of graphene and other related materials. Hybrid Monte Carlo simulations offer a first-principles approach to study their phase…

Strongly Correlated Electrons · Physics 2021-06-22 Dominik Smith , Pavel Buividovich , Michael Körner , Maksim Ulybyshev , Lorenz von Smekal

We introduce a new Monte Carlo method for pure gauge theories. It is not intended for use with dynamical fermions. It belongs to the class of Local Hybrid Monte Carlo (LHMC) algorithms, which make use of the locality of the action by…

High Energy Physics - Lattice · Physics 2009-10-22 A. D. Kennedy , K. M. Bitar