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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…

软凝聚态物质 · 物理学 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…

量子物理 · 物理学 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…

超导电性 · 物理学 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 ($\parallel$)…

软凝聚态物质 · 物理学 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…

统计力学 · 物理学 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…

计算物理 · 物理学 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…

量子气体 · 物理学 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…

量子气体 · 物理学 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…

统计力学 · 物理学 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…

强关联电子 · 物理学 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…

软凝聚态物质 · 物理学 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…

化学物理 · 物理学 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…

强关联电子 · 物理学 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…

量子气体 · 物理学 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…

统计力学 · 物理学 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…

数值分析 · 数学 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…

统计力学 · 物理学 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…

强关联电子 · 物理学 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…

软凝聚态物质 · 物理学 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…

计算物理 · 物理学 2019-10-03 Andrea Zen , Jan Gerit Brandenburg , Angelos Michaelides , Dario Alfè
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