Luc Belloni

activity

20242026

collaborators

3 papers

physics.chem-ph2026

Accurate Solvation Properties in supercritical CO $_{2}$ with Molecular Density Functional Theory

Mohamed Houssein Mohamed, Odette Tannous, Camille Muller +4

Supercritical CO $_{2}$ is a highly efficient solvent for the development of more environmentally benign chemical processes. It is crucial to predict its solvation properties -- the s…

physics.chem-ph2025

A Molecular Density Functional Theory of aqueous electrolytic solution

Guillaume Jeanmairet, Luc Belloni, Daniel Borgis

We propose a generalisation of molecular density functional theory to describe inhomogeneous solvent mixture, with the objective of modelling electrolytic solutions. Two electrolyt…

cond-mat.soft2024

The orientational structure of a model patchy particle fluid: simulations, integral equations, density functional theory and machine learning

Alessandro Simon, Luc Belloni, Daniel Borgis +1

We investigate the orientational properties of a homogeneous and inhomogeneous tetrahedral 4-patch fluid (Kern--Frenkel model). Using integral equations, either (i) HNC or (ii) a m…

Accurate Solvation Properties in supercritical CO2​ with Molecular Density Functional Theory

A Molecular Density Functional Theory of aqueous electrolytic solution

The orientational structure of a model patchy particle fluid: simulations, integral equations, density functional theory and machine learning

Accurate Solvation Properties in supercritical CO $_{2}$ with Molecular Density Functional Theory