83 citations · 84 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2014★ 1 cited
A molecular density functional theory to study solvation in water
Guillaume Jeanmairet
A classical density functional theory is applied to study solvation of solutes in water. An approx- imate form of the excess functional is proposed for water. This functional requi…
cond-mat.soft2014★ 83 cited
Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections
Volodymyr P. Sergiievskyi, Guillaume Jeanmairet, Maximilien Levesque +1
Molecular Density Functional Theory (MDFT) offers an efficient implicit- solvent method to estimate molecule solvation free-energies whereas conserving a fully molecular representa…