Improvement in molecule exchange efficiency in Gibbs ensemble Monte Carlo: development and implementation of the continuous fractional component move.
about
A general and efficient Monte Carlo method for sampling intramolecular degrees of freedom of branched and cyclic molecules.Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. IV. Performance of many-body force fields and tight-binding schemes for the fluid phases of silicon.Behavior of the Enthalpy of Adsorption in Nanoporous Materials Close to Saturation Conditions.Efficient Application of Continuous Fractional Component Monte Carlo in the Reaction Ensemble.Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. III. Impact of combining rules on mixtures properties.Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. I. Thermodynamic properties in the bulk and at the liquid-vapor phase boundary.An analytical equation of state for describing isotropic-nematic phase equilibria of Lennard-Jones chain fluids with variable degree of molecular flexibility.A water-swap reaction coordinate for the calculation of absolute protein-ligand binding free energies.Isotropic-nematic phase equilibria of hard-sphere chain fluids-Pure components and binary mixtures.Free energy calculations along entropic pathways. II. Droplet nucleation in binary mixtures.Computation of thermodynamic properties in the continuous fractional component Monte Carlo Gibbs ensembleEvaluation of the grand-canonical partition function using expanded Wang-Landau simulations. II. Adsorption of atomic and molecular fluids in a porous material
P2860
Q31033347-B4734790-86C3-4119-9C60-A27AF9A48566Q39871201-B013DDFB-A5E1-4DFE-9E1C-EEB85080F4F7Q41001794-AC0539DE-E139-42FD-A400-3C71360976E9Q41111027-2E02A9FB-1647-40E5-884D-8BA1CBE6B488Q43444255-929D6147-96B3-481A-AEB2-4DCA6F06696EQ45903184-BDDAB38D-A59C-4B9C-A075-CF98BF227391Q50889582-52F1F1BD-2D7C-48F2-8218-A2AE95FDEC01Q51605124-B16D19E5-702F-49C4-B6DB-85A2346D402CQ53817983-E01374B9-8F4E-48C1-B13B-1F9AEA5E5E54Q54016377-F23CF5A3-6642-434B-9B8E-5E8A15EE25B4Q57393870-4B0595D3-0EA8-4E28-B101-1300382B4089Q58347458-FE67DC2F-587C-4F23-BA08-1C1A055BB0AB
P2860
Improvement in molecule exchange efficiency in Gibbs ensemble Monte Carlo: development and implementation of the continuous fractional component move.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh-hant
name
Improvement in molecule exchan ...... ous fractional component move.
@en
Improvement in molecule exchan ...... ous fractional component move.
@nl
type
label
Improvement in molecule exchan ...... ous fractional component move.
@en
Improvement in molecule exchan ...... ous fractional component move.
@nl
prefLabel
Improvement in molecule exchan ...... ous fractional component move.
@en
Improvement in molecule exchan ...... ous fractional component move.
@nl
P356
P1476
Improvement in molecule exchan ...... ous fractional component move.
@en
P2093
P304
P356
10.1002/JCC.20977
P577
2008-11-01T00:00:00Z