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。On the temperature dependence of liquid structure
Zeke A. Piskulich et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
A coarse-grained potential for liquid water by spherically projected hydrogen-bonding interactions
Kazuhiko Honda
JOURNAL OF MOLECULAR LIQUIDS (2020)
Understanding Missing Entropy in Coarse-Grained Systems: Addressing Issues of Representability and Transferability
Jaehyeok Jin et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2019)
Understanding three-body contributions to coarse-grained force fields
Christoph Scherer et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)
Van der Waals Perspective on Coarse-Graining: Progress toward Solving Representability and Transferability Problems
Nicholas J. H. Dunn et al.
ACCOUNTS OF CHEMICAL RESEARCH (2016)
Bottom-up coarse-grained models with predictive accuracy and transferability for both structural and thermodynamic properties of heptane-toluene mixtures
Nicholas J. H. Dunn et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Bottom-up coarse-grained models that accurately describe the structure, pressure, and compressibility of molecular liquids
Nicholas J. H. Dunn et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Fitting coarse-grained distribution functions through an iterative force-matching method
Lanyuan Lu et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Towards an understanding of many-particle effects in hydrophobic association in methane solutions
Sergei Izvekov
JOURNAL OF CHEMICAL PHYSICS (2011)
The multiscale coarse-graining method. VII. Free energy decomposition of coarse-grained effective potentials
Lanyuan Lu et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
The multiscale coarse-graining method: Assessing its accuracy and introducing density dependent coarse-grain potentials
Sergei Izvekov et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?
Han Wang et al.
EUROPEAN PHYSICAL JOURNAL E (2009)
Water Modeled As an Intermediate Element between Carbon and Silicon
Valeria Molinero et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Anomalous waterlike behavior in spherically-symmetric water models optimized with the relative entropy
Aviel Chaimovich et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Modeling diffusive dynamics in adaptive resolution simulation of liquid water
Silvina Matysiak et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
The relative entropy is fundamental to multiscale and inverse thermodynamic problems
M. Scott Shell
JOURNAL OF CHEMICAL PHYSICS (2008)
Representability problems for coarse-grained water potentials
Margaret E. Johnson et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Multiscale coarse graining of liquid-state systems
S Izvekov et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
A multiscale coarse-graining method for biomolecular systems
S Izvekov et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Deriving effective mesoscale potentials from atomistic simulations
D Reith et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
Thermodynamic, structural and transport properties of Lennard-Jones liquid systems. A molecular dynamics simulations of liquid helium, neon, methane and nitrogen
N Tchouar et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2003)