Molecular density functional theory for water with liquid-gas coexistence and correct pressure

Fast prediction of hydration free energies for SAMPL4 blind test from a classical density functional theory

(2014) Jia Fu et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections

(2014) Volodymyr P. Sergiievskyi et al.   Journal of Physical Chemistry Letters

Efficient full Newton–Raphson technique for the solution of molecular integral equations – example of the SPC/E water-like system

(2014) Luc Belloni et al.   MOLECULAR PHYSICS

Molecular density functional theory of water describing hydrophobicity at short and long length scales

(2013) Guillaume Jeanmairet et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Density Functional Theory of Water

(2013) Guillaume Jeanmairet et al.   Journal of Physical Chemistry Letters

Bridge function for the dipolar fluid from simulation

(2012) Joël Puibasset et al.   JOURNAL OF CHEMICAL PHYSICS

Scalar fundamental measure theory for hard spheres in three dimensions: Application to hydrophobic solvation

(2012) Maximilien Levesque et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular density functional theory of solvation: From polar solvents to water

(2011) Shuangliang Zhao et al.   JOURNAL OF CHEMICAL PHYSICS

An improved coarse-grained model of solvation and the hydrophobic effect

(2011) Patrick Varilly et al.   JOURNAL OF CHEMICAL PHYSICS

Correction to “New Theoretical Method for Rapid Prediction of Solvation Free Energy in Water”

(2011) Shuangliang Zhao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

New Theoretical Method for Rapid Prediction of Solvation Free Energy in Water

(2011) Shuangliang Zhao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Water Modeled As an Intermediate Element between Carbon and Silicon†

(2008) Valeria Molinero et al.   JOURNAL OF PHYSICAL CHEMISTRY B