Publications by authors named "Magali Benoit"

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Role of nitrogen and oxygen in the nucleation and growth of silver nanoparticles in gas-phase synthesis.
Salomé Trillot, Patrizio Benzo, Sophie Barre, Nathalie Tarrat, Magali Benoit

Nanoscale· July 2025

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Evidence and origin of anomalous diffusion of Ag+ ion in amorphous silica: A molecular dynamics study with neural network interatomic potentials.
Salomé Trillot, Nathalie Tarrat, Nicolas Combe, Patrizio Benzo, Caroline Bonafos, Magali Benoit

J Chem Phys· March 2025

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On Local Structure Equilibration of Ca in Solution by Ab Initio Molecular Dynamics.
Hugo Moison, Julie Aufort, Magali Benoit, Merlin Méheut

J Phys Chem B· April 2024

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Exploring the formation of gold/silver nanoalloys with gas-phase synthesis and machine-learning assisted simulations.
Quentin Gromoff, Patrizio Benzo, Wissam A Saidi, Christopher M Andolina, Marie-José Casanove, Magali Benoit

Nanoscale· December 2023

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Silica-induced electron loss of silver nanoparticles.
Magali Benoit, Joël Puibasset, Caroline Bonafos, Nathalie Tarrat

Nanoscale· May 2022

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How interface properties control the equilibrium shape of core-shell Fe-Au and Fe-Ag nanoparticles.
Ségolène Combettes, Julien Lam, Patrizio Benzo, Anne Ponchet, Marie-José Casanove, Magali Benoit

Nanoscale· September 2020

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Alloy, Janus and core-shell nanoparticles: numerical modeling of their nucleation and growth in physical synthesis.
Georg Daniel Förster, Magali Benoit, Julien Lam

Phys Chem Chem Phys· October 2019

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Importance of a Fully Anharmonic Treatment of Equilibrium Isotope Fractionation Properties of Dissolved Ionic Species As Evidenced by Li(aq).
Romain Dupuis, Magali Benoit, Mark E Tuckerman, Merlin Méheut

Acc Chem Res· July 2017

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Quantum Nuclear Dynamics of Protons within Layered Hydroxides at High Pressure.
Romain Dupuis, Jorge S Dolado, Magali Benoit, Jose Surga, Andrés Ayuela

Sci Rep· July 2017

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Prediction of Co nanoparticle morphologies stabilized by ligands: towards a kinetic model.
Van Bac Nguyen, Magali Benoit, Nicolas Combe, Hao Tang

Phys Chem Chem Phys· February 2017

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Theoretical study of the atrazine pesticide interaction with pyrophyllite and Ca(2+) -montmorillonite clay surfaces.
Bastien Belzunces, Sophie Hoyau, Magali Benoit, Nathalie Tarrat, Fabienne Bessac

J Comput Chem· January 2017

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Adsorption energy of small molecules on core-shell Fe@Au nanoparticles: tuning by shell thickness.
Magali Benoit, Nathalie Tarrat, Joseph Morillo

Phys Chem Chem Phys· April 2016

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Efficient Calculation of Free Energy Differences Associated with Isotopic Substitution Using Path-Integral Molecular Dynamics.
Ondrej Marsalek, Pei-Yang Chen, Romain Dupuis, Magali Benoit, Merlin Méheut

J Chem Theory Comput· April 2014

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The shapes of protons in hydrogen bonds depend on the bond length.
Magali Benoit, Dominik Marx

Chemphyschem· September 2005

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First-principles calculation of the 17O NMR parameters of a calcium aluminosilicate glass.
Magali Benoit, Mickaël Profeta, Francesco Mauri, Chris J Pickard, Mark E Tuckerman

J Phys Chem B· April 2005

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First-principles calculation of the 17O NMR parameters in Ca oxide and Ca aluminosilicates: the partially covalent nature of the Ca-O bond, a challenge for density functional theory.
Mickaël Profeta, Magali Benoit, Francesco Mauri, Chris J Pickard

J Am Chem Soc· October 2004

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Structural properties of a calcium aluminosilicate glass from molecular-dynamics simulations: a finite size effects study.
Patrick Ganster, Magali Benoit, Walter Kob, Jean-Marc Delaye

J Chem Phys· June 2004

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Reassigning hydrogen-bond centering in dense ice.
Magali Benoit, Aldo H Romero, Dominik Marx

Phys Rev Lett· September 2002

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