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A rigourous Monte Carlo method for protein folding simulation on lattice model is introduced. We show that a parameter which can be seen as the rigidity of the conformations has to be introduced in order to satisfy the detailed balance…

Soft Condensed Matter · Physics 2007-05-23 Olivier Collet

In this paper we apply the time-dependent quantum Monte Carlo (TDQMC) method to explore a midified single- and double-slit diffraction of matter waves. By using a simplified model of two electrons prepared in the ground state of an atom…

Quantum Physics · Physics 2025-02-07 Ivan P. Christov

The `dynamic' Hubbard Hamiltonian describes interacting fermions on a lattice whose on-site repulsion is modulated by a coupling to a fluctuating bosonic field. We investigate one such model, introduced by Hirsch, using the determinant…

Superconductivity · Physics 2009-11-13 K. Bouadim , M. Enjalran , F. Hebert , G. G. Batrouni , R. T. Scalettar

Monte Carlo simulations have been performed to analyze the sub-diffusion dynamics of a tagged monomer in self-avoiding polymerized membranes in the flat phase. By decomposing the mean square displacement into the out-of-plane ($\parallel$)…

Soft Condensed Matter · Physics 2015-06-22 Ken-ichi Mizuochi , Hiizu Nakanishi , Takahiro Sakaue

Lattice-switch Monte Carlo is an efficient method for calculating the free energy difference between two solid phases, or a solid and a fluid phase. Here, we provide a brief introduction to the method, and list its applications since its…

Statistical Mechanics · Physics 2015-10-05 T. L. Underwood , G. J. Ackland

We present a quantum Monte Carlo method capable of sampling the full density matrix of a many-particle system at finite temperature. This allows arbitrary reduced density matrix elements and expectation values of complicated non-local…

Computational Physics · Physics 2015-06-15 N. S. Blunt , T. W. Rogers , J. S. Spencer , W. M. C. Foulkes

We investigate the attractive Fermi polaron problem in two dimensions using non-perturbative Monte Carlo simulations. We introduce a new Monte Carlo algorithm called the impurity lattice Monte Carlo method. This algorithm samples the path…

Quantum Gases · Physics 2015-10-29 Shahin Bour , Dean Lee , H. -W. Hammer , Ulf-G. Meißner

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…

Quantum Gases · Physics 2015-03-20 Lode Pollet

The quantum dimer model, relevant for short-range resonant valence bond physics, is rigorously shown to have long range order in a crystalline phase in the attractive case at low temperature and not too large flipping term. This term flips…

Statistical Mechanics · Physics 2015-05-04 Alessandro Giuliani , Elliott H. Lieb

Single-particle spectrum of the Kondo lattice model is derived with use of the continuous-time quantum Monte Carlo method, combined with the dynamical mean-field theory. Crossover behavior is traced quantitatively either to a heavy…

Strongly Correlated Electrons · Physics 2009-01-06 Junya Otsuki , Hiroaki Kusunose , Yoshio Kuramoto

Monte Carlo simulation is used to study the dynamical crossover from single file diffusion to normal diffusion in fluids confined to narrow channels. We show that the long time diffusion coefficients for a series of systems involving hard…

Soft Condensed Matter · Physics 2015-06-17 Surajith N. Wanasundara , Raymond J. Spiteri , Richard K. Bowles

We calculate the linear and non-linear susceptibilities of periodic longitudinal chains of hydrogen dimers with different bond-length alternations using a diffusion quantum Monte Carlo approach. These quantities are derived from the changes…

Chemical Physics · Physics 2015-05-14 Paolo Umari , Nicola Marzari

A Green-function formalism for the Kondo lattice model is presented, which is designed to be combined with the dynamical mean-field theory. With use of Wick's theorem only for conduction electrons, dynamical quantities are represented in…

Strongly Correlated Electrons · Physics 2009-01-06 Junya Otsuki , Hiroaki Kusunose , Yoshio Kuramoto

Quantum Monte Carlo (QMC) techniques are used to provide an approximation-free investigation of the phases of the one-dimensional attractive Hubbard Hamiltonian in the presence of population imbalance. The temperature at which the…

Quantum Gases · Physics 2010-07-15 M. J. Wolak , V. G. Rousseau , C. Miniatura , B. Gremaud , R. T. Scalettar , G. G. Batrouni

We derive exact, universal, closed-form quantum Monte Carlo estimators for finite-temperature energy susceptibility and fidelity susceptibility, applicable to essentially arbitrary Hamiltonians. Combined with recent advancements in Monte…

Statistical Mechanics · Physics 2026-01-30 Nic Ezzell , Lev Barash , Itay Hen

Quasi-Monte Carlo (QMC) integration of output functionals of solutions of the diffusion problem with a log-normal random coefficient is considered. The random coefficient is assumed to be given by an exponential of a Gaussian random field…

Numerical Analysis · Mathematics 2017-01-24 Yoshihito Kazashi

Motivated by recent experiments with a Penning ion trap quantum simulator, we perform numerically exact Stochastic Series Expansion quantum Monte Carlo simulations of long-range transverse-field Ising models on a triangular lattice for…

Statistical Mechanics · Physics 2016-03-15 Stephan Humeniuk

Understanding the real time dynamics of quantum systems without quasiparticles constitutes an important yet challenging problem. We study the superfluid-insulator quantum-critical point of bosons on a two-dimensional lattice, a system whose…

Strongly Correlated Electrons · Physics 2014-05-06 William Witczak-Krempa , Erik Sorensen , Subir Sachdev

The triangular lattice model with nearest-neighbor attraction and third-neighbor repulsion, introduced in [J. Pekalski, A. Ciach and N. G. Almarza, arXiv:1401.0801 [cond-mat.soft]] is studied by Monte Carlo simulation. Introduction of…

Soft Condensed Matter · Physics 2015-06-18 N. G. Almarza , J. Pekalski , A. Ciach

Fixed node diffusion quantum Monte Carlo (FN-DMC) is an increasingly used computational approach for investigating the electronic structure of molecules, solids, and surfaces with controllable accuracy. It stands out among equally accurate…

Computational Physics · Physics 2019-10-03 Andrea Zen , Jan Gerit Brandenburg , Angelos Michaelides , Dario Alfè
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