GPU-specific algorithms for improved solute sampling in grand canonical Monte Carlo simulations.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of computational chemistry"
DOI: 10.1002/jcc.27121
Abstract: The Grand Canonical Monte Carlo (GCMC) ensemble defined by the excess chemical potential, μex , volume, and temperature, in the context of molecular simulations allows for variations in the number of particles in the system.… read more here.
Keywords: gcmc; grand canonical; canonical monte; monte carlo ... See more keywords
On the conversion of the confined ideal gas distribution between the canonical and the grand canonical ensembles
Sign Up to like & getrecommendations! Published in 2021 at "Fluid Phase Equilibria"
DOI: 10.1016/j.fluid.2021.112962
Abstract: Abstract In this short communication, we show that the analytical solution for the single-particle density of a confined ideal gas within the grand canonical ensemble can be derived from its correlate within the canonical ensemble,… read more here.
Keywords: conversion confined; gas distribution; confined ideal; ideal gas ... See more keywords
Entanglement entropy and phase portrait of f(R)-AdS black holes in the grand canonical ensemble
Sign Up to like & getrecommendations! Published in 2019 at "Nuclear Physics B"
DOI: 10.1016/j.nuclphysb.2018.11.010
Abstract: Abstract In this work, we investigate the thermodynamical behavior of charged AdS black holes from f ( R ) gravity corrections with a constant Ricci scalar curvature in the grand-canonical ensemble. Using the holographic entanglement… read more here.
Keywords: black holes; ads black; grand canonical; entanglement entropy ... See more keywords
Phase structures and transitions of quintessence surrounding RN black holes in a grand canonical ensemble *
Sign Up to like & getrecommendations! Published in 2021 at "Chinese Physics C"
DOI: 10.1088/1674-1137/abf6c4
Abstract: Abstract Considering a grand canonical ensemble, we study the phase structures and transitions of RN black holes surrounded by quintessence dark energy on two different boundary conditions, namely AdS space and a Dirichlet wall. For… read more here.
Keywords: phase; space; phase structures; grand canonical ... See more keywords
Efficient method for grand-canonical twist averaging in quantum Monte Carlo calculations
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review B"
DOI: 10.1103/physrevb.100.245142
Abstract: We introduce a simple but efficient method for grand-canonical twist averaging in quantum Monte Carlo calculations. By evaluating the thermodynamic grand potential instead of the ground state total energy, we greatly reduce the sampling errors… read more here.
Keywords: method grand; twist averaging; efficient method; canonical twist ... See more keywords
The Grand Canonical ensemble of weighted networks
Sign Up to like & getrecommendations! Published in 2019 at "Physical review. E"
DOI: 10.1103/physreve.99.030301
Abstract: The cornerstone of statistical mechanics of complex networks is the idea that the links, and not the nodes, are the effective particles of the system. Here, we formulate a mapping between weighted networks and lattice… read more here.
Keywords: ensemble weighted; grand canonical; canonical ensemble; weighted networks ... See more keywords
Comparative Study of a Critical Behavior of a Coupled Spin-Electron Model on a Doubly Decorated Square Lattice in the Canonical and Grand-Canonical Ensemble
Sign Up to like & getrecommendations! Published in 2020 at "Acta Physica Polonica A"
DOI: 10.12693/aphyspola.137.607
Abstract: The critical behavior of a hybrid spin-electron model with localized Ising spins placed on nodal sites and mobile electrons delocalized over bonds between two nodal lattice sites is analyzed by the use of a generalized… read more here.
Keywords: electron; model; spin electron; canonical grand ... See more keywords