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Non-equilibrium hybrid insertion/extraction through the 4th dimension in grand-canonical simulation

The Journal of chemical physics, 2019-07, Vol.151 (2), p.021101-021101

Belloni, Luc

2019

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Exact molecular direct, cavity, and bridge functions in water system

The Journal of chemical physics, 2017-10, Vol.147 (16), p.164121-164121

Belloni, Luc

2017

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Finite-size corrections in numerical simulation of liquid water

The Journal of chemical physics, 2018-09, Vol.149 (9), p.094111-094111

Belloni, Luc

2018

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Efficient molecular density functional theory using generalized spherical harmonics expansions

The Journal of chemical physics, 2017-09, Vol.147 (9), p.094107-094107

2017

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Grand-canonical molecular dynamics simulations powered by a hybrid 4D nonequilibrium MD/MC method: Implementation in LAMMPS and applications to electrolyte solutions

The Journal of chemical physics, 2023-10, Vol.159 (14)

2023

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Hydration free energies and solvation structures with molecular density functional theory in the hypernetted chain approximation

The Journal of chemical physics, 2020-02, Vol.152 (6), p.064110-064110

2020

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Simple Parameter-Free Bridge Functionals for Molecular Density Functional Theory. Application to Hydrophobic Solvation

The journal of physical chemistry. B, 2020-08, Vol.124 (31), p.6885-6893

2020

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Accurate prediction of hydration free energies and solvation structures using molecular density functional theory with a simple bridge functional

The Journal of chemical physics, 2021-07, Vol.155 (2), p.024117-024117

2021

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Ionic condensation and charge renormalization in colloidal suspensions

Colloids and surfaces. A, Physicochemical and engineering aspects, 1998-09, Vol.140 (1), p.227-243

Belloni, Luc

1998

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Salt Screening and Specific Ion Adsorption Determine Neutral-Lipid Membrane Interactions

Proceedings of the National Academy of Sciences - PNAS, 2006-05, Vol.103 (21), p.7982-7987

2006

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Recycling metals by controlled transfer of ionic species between complex fluids: en route to “ienaics”

Colloid and polymer science, 2015-01, Vol.293 (1), p.1-22

2015

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Osmotic Coefficients and Surface Tensions of Aqueous Electrolyte Solutions: Role of Dispersion Forces

The journal of physical chemistry. B, 2004-02, Vol.108 (7), p.2398-2404

2004

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Specific ion adsorption and short-range interactions at the air aqueous solution interface

Physical review letters, 2007-08, Vol.99 (8), p.086105-086105, Article 086105

2007

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Colloidal interactions

Journal of physics. Condensed matter, 2000-11, Vol.12 (46), p.R549-R587

Belloni, Luc

2000

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Inability of the hypernetted chain integral equation to exhibit a spinodal line

The Journal of chemical physics, 1993-05, Vol.98 (10), p.8080-8095

Belloni, Luc

1993

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Screened Coulombic Orientational Correlations in Dilute Aqueous Electrolytes

The journal of physical chemistry letters, 2018-04, Vol.9 (8), p.1985-1989

2018

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Efficient full Newton-Raphson technique for the solution of molecular integral equations - example of the SPC/E water-like system

Molecular physics, 2014-05, Vol.112 (9-10), p.1246-1256

2014

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Dielectric response of confined water films from a classical density functional theory perspective

Chemical science (Cambridge), 2023-10, Vol.14 (4), p.11141-1115

2023

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What Does Second-Harmonic Scattering Measure in Diluted Electrolytes?

The journal of physical chemistry letters, 2018-07, Vol.9 (13), p.3698-3702

2018

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Finite-size corrections in simulation of dipolar fluids

The Journal of chemical physics, 2017-12, Vol.147 (22), p.224110-224110

2017

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The role of counterions on the elasticity of highly charged lamellar phases: A small-angle x-ray and neutron-scattering determination

The Journal of chemical physics, 2005-07, Vol.123 (2), p.024704-024704-18

2005

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Predicting Hydration Free Energies of the FreeSolv Database of Drug-like Molecules with Molecular Density Functional Theory

Journal of chemical information and modeling, 2020-07, Vol.60 (7), p.3558-3565

2020

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Structure Factor of EuCl3 Aqueous Solutions via Coupled Molecular Dynamics Simulations and Integral Equations

The journal of physical chemistry. B, 2020-03, Vol.124 (9), p.1787-1793

2020

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A model of attractive interactions to account for fluid–fluid phase separation of protein solutions

The Journal of chemical physics, 1996-08, Vol.105 (8), p.3290-3300

1996

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Diameter and chirality of natural and synthetic imogolite

Applied clay science, 2024-09, Vol.258, p.107497, Article 107497

2024

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Non-equilibrium hybrid insertion/extraction through the 4th dimension in grand-canonical simulation

Exact molecular direct, cavity, and bridge functions in water system

Finite-size corrections in numerical simulation of liquid water

Efficient molecular density functional theory using generalized spherical harmonics expansions

Grand-canonical molecular dynamics simulations powered by a hybrid 4D nonequilibrium MD/MC method: Implementation in LAMMPS and applications to electrolyte solutions

Hydration free energies and solvation structures with molecular density functional theory in the hypernetted chain approximation

Simple Parameter-Free Bridge Functionals for Molecular Density Functional Theory. Application to Hydrophobic Solvation

Accurate prediction of hydration free energies and solvation structures using molecular density functional theory with a simple bridge functional

Ionic condensation and charge renormalization in colloidal suspensions

Salt Screening and Specific Ion Adsorption Determine Neutral-Lipid Membrane Interactions

Recycling metals by controlled transfer of ionic species between complex fluids: en route to “ienaics”

Osmotic Coefficients and Surface Tensions of Aqueous Electrolyte Solutions: Role of Dispersion Forces

Specific ion adsorption and short-range interactions at the air aqueous solution interface

Colloidal interactions

Inability of the hypernetted chain integral equation to exhibit a spinodal line

Screened Coulombic Orientational Correlations in Dilute Aqueous Electrolytes

Efficient full Newton-Raphson technique for the solution of molecular integral equations - example of the SPC/E water-like system

Dielectric response of confined water films from a classical density functional theory perspective

What Does Second-Harmonic Scattering Measure in Diluted Electrolytes?

Finite-size corrections in simulation of dipolar fluids

The role of counterions on the elasticity of highly charged lamellar phases: A small-angle x-ray and neutron-scattering determination

Predicting Hydration Free Energies of the FreeSolv Database of Drug-like Molecules with Molecular Density Functional Theory

Structure Factor of EuCl3 Aqueous Solutions via Coupled Molecular Dynamics Simulations and Integral Equations

A model of attractive interactions to account for fluid–fluid phase separation of protein solutions

Diameter and chirality of natural and synthetic imogolite

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