93 citations · 1k across the 33 of their papers we have counts for
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Solvation free-energy pressure corrections in the Three Dimensional Reference Interaction Site Model
Volodymyr Sergiievskyi, Guillaume Jeanmairet, Maximilien Levesque +1
Solvation free energies are efficiently predicted by molecular density functionnal theory (MDFT) if one corrects the overpressure introduced by the usual homogeneous reference flui…
Pressure Correction in Classical Density Functional Theory: Hyper Netted Chain and Hard Sphere Bridge Functionals
Volodymyr Sergiievskyi, Guillaume Jeanmairet, Maximilien Levesque +1
Low accuracy of the Solvation Free Energy (SFE) calculation is a known problem of the numerical methods of the Integral Equation Theory of Liquids and the Classical Density Functio…
Classical density functional theory to tackle solvation in molecular liquids
Guillaume Jeanmairet, Maximilien Levesque, Volodymyr Sergiievskyi +1
We present a brief review of the classical density functional theory of atomic and molecular fluids. We focus on the application of the theory to the determination of the solvation…
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…