83 citations · 116 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2015★ 33 cited
Molecular Density Functional Theory for water with liquid-gas coexistence and correct pressure
Guillaume Jeanmairet, Maximilien Levesque, Volodymyr Sergiievskyi +1
The solvation of hydrophobic solutes in water is special because liquid and gas are almost at coexistence. In the common hypernetted chain approximation to integral equations, or e…
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…