Related references
Note: Only part of the references are listed.Coarse-grained potential models for structural prediction of carbon dioxide (CO2) in confined environments
T. Sanghi et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Coarse-Grained Potential Model for Structural Prediction of Confined Water
S. Y. Mashayak et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Molecular simulations of confined liquids: An alternative to the grand canonical Monte Carlo simulations
Aziz Ghoufi et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Coarse-graining errors and numerical optimization using a relative entropy framework
Aviel Chaimovich et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Temperature dependence of coarse-grained potentials for liquid hexane
Karim Farah et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
A transferable coarse-grained potential to study the structure of confined, supercritical Lennard-Jones fluids
T. Sanghi et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Molecular dynamics simulations of water confined in graphene nanochannels: From ambient to supercritical environments
J. Marti et al.
JOURNAL OF MOLECULAR LIQUIDS (2010)
Relative entropy as a universal metric for multiscale errors
Aviel Chaimovich et al.
PHYSICAL REVIEW E (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)
Versatile Object-Oriented Toolkit for Coarse-Graining Applications
Victor Ruehle et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Anomalous waterlike behavior in spherically-symmetric water models optimized with the relative entropy
Aviel Chaimovich et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Multiscale simulation of soft matter systems - from the atomistic to the coarse-grained level and back
Christine Peter et al.
SOFT MATTER (2009)
Water in nonpolar confinement: From nanotubes to proteins and beyond
Jayendran C. Rasaiah et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY (2008)
The relative entropy is fundamental to multiscale and inverse thermodynamic problems
M. Scott Shell
JOURNAL OF CHEMICAL PHYSICS (2008)
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
Berk Hess et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Correspondence between phase diagrams of the TIP5P water model and a spherically symmetric repulsive ramp potential with two characteristic length scales
Zhenyu Yan et al.
PHYSICAL REVIEW E (2008)
Interatomic potential-based semiclassical theory for Lennard-Jones fluids
A. V. Raghunathan et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Representability problems for coarse-grained water potentials
Margaret E. Johnson et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Family of tunable spherically symmetric potentials that span the range from hard spheres to waterlike behavior
Zhenyu Yan et al.
PHYSICAL REVIEW E (2006)
Multiscale coarse graining of liquid-state systems
S Izvekov et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Phase-space overlap measures. I. Fail-safe bias detection in free energies calculated by molecular simulation
D Wu et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Potential energy functions for atomic-level simulations of water and organic and biomolecular systems
WL Jorgensen et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)
Ion concentrations and velocity profiles in nanochannel electroosmotic flows
R Qiao et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Beware of density dependent pair potentials
AA Louis
JOURNAL OF PHYSICS-CONDENSED MATTER (2002)
Share Paper
