相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Kirkwood-Buff integrals from molecular simulation
Noura Dawass et al.
FLUID PHASE EQUILIBRIA (2019)
Fluctuations, Finite-Size Effects and the Thermodynamic Limit in Computer Simulations: Revisiting the Spatial Block Analysis Method
Maziar Heidari et al.
ENTROPY (2018)
Thermodynamic analysis of Lennard-Jones binary mixtures using Kirkwood-Buff theory
Aikaterini A. Galata et al.
FLUID PHASE EQUILIBRIA (2018)
Finite-size integral equations in the theory of liquids and the thermodynamic limit in computer simulations
M. Heidari et al.
MOLECULAR PHYSICS (2018)
Computation of elastic constants of solids using molecular simulation: comparison of constant volume and constant pressure ensemble methods
G. Clavier et al.
MOLECULAR SIMULATION (2017)
Communication: Kirkwood-Buff integrals in the thermodynamic limit from small-sized molecular dynamics simulations
R. Cortes-Huerto et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Equilibrium Molecular Thermodynamics from Kirkwood Sampling
Sandeep Somani et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2015)
Equation of State for the Lennard-Jones Truncated and Shifted Model Fluid
Monika Thol et al.
INTERNATIONAL JOURNAL OF THERMOPHYSICS (2015)
Partial molar enthalpies and reaction enthalpies from equilibrium molecular dynamics simulation
Sondre K. Schnell et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Simple Quantitative Tests to Validate Sampling from Thermodynamic Ensembles
Michael R. Shirts
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Convergence of Sampling Kirkwood-Buff Integrals of Aqueous Solutions with Molecular Dynamics Simulations
Pritam Ganguly et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Thermodynamics of small systems embedded in a reservoir: a detailed analysis of finite size effects
Sondre K. Schnell et al.
MOLECULAR PHYSICS (2012)
Thermodynamics of a small system in a μT reservoir
Sondre K. Schnell et al.
CHEMICAL PHYSICS LETTERS (2011)
Calculating Thermodynamic Properties from Fluctuations at Small Scales
Sondre K. Schnell et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Particle fluctuations within sub-regions of an N-particle, three-dimensional fluid:: Finite-size effects and compressibility
J. J. Salacuse
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS (2008)
Continuous fractional component Monte Carlo: An adaptive biasing method for open system atomistic simulations
Wei Shi et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)
Particle fluctuations within sub-regions of an N-particle, two-dimensional fluid:: Finite-size effects and compressibility
J. J. Salacuse
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS (2007)
Computing Bayes factors using thermodynamic integration
N Lartillot et al.
SYSTEMATIC BIOLOGY (2006)
Bridging the gap between thermodynamic integration and umbrella sampling provides a novel analysis method:: umbrella integration -: art. no. 144104
J Kästner et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Understanding the limitations of the virial in the simulation of nanosystems: A puzzle that stimulated the search for understanding
H Reiss et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Fast-growth thermodynamic integration: Error and efficiency analysis
G Hummer
JOURNAL OF CHEMICAL PHYSICS (2001)