相关论文: Parallel J-W Monte Carlo Simulations of Thermal Ph…
Predicting solid-solid phase transitions remains a long-standing challenge in materials science. Solid-solid transformations underpin a wide range of functional properties critical to energy conversion, information storage, and thermal…
We propose and use a novel, hybrid Monte Carlo algorithm that combines configurational bias particle swaps with parallel tempering. We use this new method to simulate a standard model of a glass forming binary mixture above and below the…
We introduce two novel quantum Monte Carlo methods and employ them to study the superfluid-insulator transition in a two-dimensional system of hard-core bosons. One of the methods is appropriate for zero temperature and is based upon…
We present results of large-scale Monte Carlo simulations of the 2D classical x-y model on the square lattice. We obtain high accuracy results for the superfluid fraction and for the specific heat as a function of temperature, for systems…
By using canonical Monte Carlo simulation, the liquid-vapor phase diagram, surface tension, interface width, and pressure for the Mie(n,m) model fluids are calculated for six pairs of parameters $m$ and $n$. It is shown that after certain…
We present a quantum Monte Carlo method which allows calculations on many-fermion systems at finite temperatures without any sign decay. This enables simulations of the grand-canonical ensemble at large system sizes and low temperatures.…
An efficient Path Integral Monte Carlo procedure is proposed to simulate the behavior of quantum many-body dissipative systems described within the framework of the influence functional. Thermodynamic observables are obtained by Monte Carlo…
The temperature induced phase transition is investigated in the one-component scalar field \phi^4 model on a lattice by using Monte Carlo simulations. Using the GPGPU technology a huge amount of data is collected that gives a possibility to…
The ground state of an array of coupled, spin-half, antiferromagnetic ladders is studied using spin-wave theory, exact diagonalization (up to 36 sites) and quantum Monte Carlo techniques (up to 256 sites). Our results clearly indicate the…
Thermodynamics of clusterized matter is studied in the framework of statistical models with non-interacting cluster degrees of freedom. At variance with the analytical Fisher model, exact Metropolis simulation results indicate that the…
We investigate the thermodynamic properties of a trappoed Bose gas of Rb atoms interacting through a repulsive potential by Quantum Monte Carlo method based upon the generalization of Feynman-Kac method[1] applicable to many body systems at…
We study the phase transition of the $\pm J$ Heisenberg model in three dimensions. Using a dynamical simulation method that removes a drift of the system, the existence of the spin-glass (SG) phase at low temperatures is suggested. The…
We propose a Monte Carlo method which performs a random walk in energy space using cluster-like collective updates. By imposing that bond probabilities depend continuously on the microcanonical temperature, we obtain dynamic exponents close…
The heat capacity of iron isotopes is calculated within the interacting shell model using the complete $(pf+0g_{9/2})$-shell. We identify a signature of the pairing transition in the heat capacity that is correlated with the suppression of…
The double-layer Heisenberg antiferromagnet with intra- and inter-layer couplings $J$ and $J_\perp$ exhibits a zero temperature quantum phase transition between a quantum disordered dimer phase for $g>g_c$ and a Neel phase with long range…
Computer simulations of structure formation in network forming materials (such as amorphous semiconductors, glasses, or fluids containing hydrogen bonds) are challenging. The problem is that large structural changes in the network topology…
Using a combined local density functional theory (LDA-DFT) and quantum Monte Carlo (QMC) dynamic cluster approximation approach, the parameter dependence of the superconducting transition temperature Tc of several single-layer hole-doped…
The investigation of freezing transitions of single polymers is computationally demanding, since surface effects dominate the nucleation process. In recent studies we have systematically shown that the freezing properties of flexible,…
We show how to use the multiple histogram method to combine canonical ensemble Monte Carlo simulations made at different temperatures and densities. The method can be applied to study systems of particles with arbitrary interaction…
A dimer of bound atoms cannot melt, only dissociate. Bulk metals show a well defined first order transition between their solid and liquid phases. The appearance of the melting transition is explored for increasing clusters sizes via the…