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Correlated fermions are of high interest in condensed matter (Fermi liquids, Wigner molecules), cold atomic gases and dense plasmas. Here we propose a novel approach to path integral Monte Carlo (PIMC) simulations of strongly degenerate…

Quantum Gases · Physics 2016-01-15 Tobias Dornheim , Simon Groth , Alexey Filinov , Michael Bonitz

In a system where chiral symmetry is spontaneously broken, the low energy eigenmodes of the continuum Dirac operator are extended. On the lattice, due to discretization effects, the Dirac operator can have localized eigenmodes that affect…

High Energy Physics - Lattice · Physics 2008-11-26 Anna Hasenfratz , Roland Hoffmann , Stefan Schaefer

We combine ab initio path integral Monte Carlo (PIMC) simulations with fixed ion configurations from density functional theory molecular dynamics (DFT-MD) simulations to solve the electronic problem for hydrogen under warm dense matter…

Plasma Physics · Physics 2023-02-01 Maximilian Böhme , Zhandos A. Moldabekov , Jan Vorberger , Tobias Dornheim

An approximate treatment of exchange in finite-temperature path integral Monte Carlo simulations for fermions has been proposed. In this method, some of the fine details of density matrix due to permutations have been smoothed over or…

Statistical Mechanics · Physics 2015-05-13 D. Y. Sun

A recent reformulation [1] of the problem of Coulomb gases in the presence of a dynamical dielectric medium showed that finite temperature simulations of such systems can be accomplished on the basis of completely local Hamiltonians on a…

Soft Condensed Matter · Physics 2009-11-11 A. Duncan , R. D. Sedgewick

We demonstrate that substantial progress can be achieved in the study of the phase structure of 4-dimensional compact QED by a joint use of hybrid Monte Carlo and multicanonical algorithms, through an efficient parallel implementation. This…

High Energy Physics - Lattice · Physics 2016-08-25 G. Arnold , Th. Lippert , K. Schilling

The choice of appropriate interaction models is among the major disadvantages of conventional methods such as molecular dynamics and Monte Carlo simulations. On the other hand, the so-called reverse Monte Carlo (RMC) method, based on…

Soft Condensed Matter · Physics 2013-03-26 S. M. Mesli , M. Habchi , M. Kotbi , H. Xu

A two-dimensional lattice hard-core boson system with a small fraction of bosonic or fermionic impurity particles is studied. The impurities have the same hopping and interactions as the dominant bosons and their effects are solely due to…

Other Condensed Matter · Physics 2009-11-13 Anders. W. Sandvik

We discuss the scaling behaviour of different fermion actions in dynamical simulations of the 2-dimensional massive Schwinger model. We have chosen Wilson, hypercube, twisted mass and overlap fermion actions. As physical observables, the…

High Energy Physics - Lattice · Physics 2010-04-05 N. Christian , K. Jansen , K. Nagai , B. Pollakowski

The application of Random Matrix Theory to the Dirac operator of QCD yields predictions for the probability distributions of the lowest eigenvalues. We measured Dirac operator spectra using massless overlap fermions in quenched QCD at…

High Energy Physics - Lattice · Physics 2009-11-10 S. Shcheredin , W. Bietenholz , T. Chiarappa , K. Jansen , K. -I. Nagai

Close to the chiral limit, many calculations in numerical lattice QCD can potentially be accelerated using low-mode deflation techniques. In this paper it is shown that the recently introduced domain-decomposed deflation subspaces can be…

High Energy Physics - Lattice · Physics 2008-11-26 Martin Lüscher

We use a standard Monte-Carlo algorithm to study the slow dynamics of a binary Lennard-Jones glass-forming mixture at low temperature. We find that Monte-Carlo is by far the most efficient way to simulate a stochastic dynamics since…

Statistical Mechanics · Physics 2015-06-25 Ludovic Berthier , Walter Kob

We test the reweighting of the quark determinant of O(a) improved Wilson fermions in the domain-decomposed hybrid Monte-Carlo algorithm. Specifically, we implement a reweighting in a twisted-mass parameter proposed by Palombi and L\"uscher…

High Energy Physics - Lattice · Physics 2011-11-17 Chuan Miao , Harvey B. Meyer , Hartmut Wittig

The efficiency of Hamiltonian Monte Carlo (HMC) can suffer when sampling a distribution with a wide range of length scales, because the small step sizes needed for stability in high-curvature regions are inefficient elsewhere. To address…

Machine Learning · Statistics 2023-11-09 Chirag Modi , Alex Barnett , Bob Carpenter

The Dynamic Monte Carlo (DMC) method is an established molecular simulation technique for the analysis of the dynamics in colloidal suspensions. An excellent alternative to Brownian Dynamics or Molecular Dynamics simulation, DMC is…

Soft Condensed Matter · Physics 2020-07-15 Fabián A. García Daza , Alejandro Cuetos , Alessandro Patti

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

The Monte Carlo calculation of R\'enyi entanglement entropies $S^{}_n$ of interacting fermions suffers from a well-known signal-to-noise problem, even for a large number of situations in which the infamous sign problem is absent. A few…

Strongly Correlated Electrons · Physics 2015-10-28 Joaquín E. Drut , William J. Porter

We present simple and practical strategies to reduce the variance of Monte Carlo estimators. Our focus is on variational Monte Carlo calculations of atomic forces and pressure in electronic systems, although we show that the underlying…

Strongly Correlated Electrons · Physics 2026-03-17 David Linteau , Saverio Moroni , Giuseppe Carleo , Markus Holzmann

Active subspaces can effectively reduce the dimension of high-dimensional parameter studies enabling otherwise infeasible experiments with expensive simulations. The key components of active subspace methods are the eigenvectors of a…

Numerical Analysis · Mathematics 2015-07-03 Paul Constantine , David Gleich

We develop a GPU-accelerated hybrid quantum Monte Carlo (QMC) algorithm to solve the fundamental yet difficult problem of $U(1)$ gauge field coupled to fermions, which gives rise to a $U(1)$ Dirac spin liquid state under the description of…

Strongly Correlated Electrons · Physics 2026-02-27 Kexin Feng , Chuang Chen , Zi Yang Meng