98 citations · 127 across the 6 of their papers we have counts for
6 papers
Accurate Solvation Properties in supercritical CO with Molecular Density Functional Theory
Mohamed Houssein Mohamed, Odette Tannous, Camille Muller +4
Supercritical CO is a highly efficient solvent for the development of more environmentally benign chemical processes. It is crucial to predict its solvation properties -- the s…
Non-Gaussian density fluctuations in the Dean-Kawasaki equation
Louison Le Bon, Antoine Carof, Pierre Illien
Computing analytically the -point density correlations in systems of interacting particles is a long-standing problem of statistical physics, with a broad range of applications,…
Stochastic density functional theory for ions in a polar solvent
Pierre Illien, Antoine Carof, Benjamin Rotenberg
In recent years, the theoretical description of electrical noise and fluctuation-induced effects in electrolytes has gained a renewed interest, enabled by stochastic field theories…
Molecular integral equations theory in the near critical region of CO2
Mohamed Houssein Mohamed, Luc Belloni, Daniel Borgis +2
Environmental concerns are driving the search for greener yet efficient solvents. Supercritical CO2 (scCO2) is a promising candidate due to its non-toxicity and the potential for r…
NMR relaxation rates of quadrupolar aqueous ions from classical molecular dynamics using force-field specific Sternheimer factors
Iurii Chubak, Laura Scalfi, Antoine Carof +1
The nuclear magnetic resonance (NMR) relaxation of quadrupolar nuclei is governed by the electric field gradient (EFG) fluctuations at their position. In classical molecular dynami…
Molecular hydrodynamics from memory kernels
Dominika Lesnicki, Rodolphe Vuilleumier, Antoine Carof +1
The memory kernel for a tagged particle in a fluid, computed from molecular dynamics simulations, decays algebraically as . We show how the hydrodynamic Basset-Boussinesq…