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Stern Layer Structure and Energetics at Mica–Water Interfaces

Journal of physical chemistry. C, 2017-05, Vol.121 (17), p.9402-9412

2017

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Uncertainty propagation in pore water chemical composition calculation using surrogate models

Scientific reports, 2022-09, Vol.12 (1), p.15077-15077, Article 15077

2022

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A model for discrete fracture-clay rock interaction incorporating electrostatic effects on transport

Computational geosciences, 2021-02, Vol.25 (1), p.395-410

2021

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The electrophoretic mobility of montmorillonite. Zeta potential and surface conductivity effects

Journal of colloid and interface science, 2015-08, Vol.451, p.21-39

2015

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Modeling diffusion processes in the presence of a diffuse layer at charged mineral surfaces: a benchmark exercise

Computational geosciences, 2021-08, Vol.25 (4), p.1319-1336

2021

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Preface to Multiscale Simulation in Geochemistry

Geochimica et cosmochimica acta, 2020-12, Vol.291, p.1-4

2020

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Influence of Polarizability on the Prediction of the Electrical Double Layer Structure in a Clay Mesopore: A Molecular Dynamics Study

Journal of physical chemistry. C, 2020-03, Vol.124 (11), p.6221-6232

2020

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Influence of Water Saturation Level on Electrical Double Layer Properties in a Clay Mineral Mesopore: A Molecular Dynamics Study

Journal of physical chemistry. C, 2022-01, Vol.126 (1), p.647-654

2022

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Mössbauer spectrometry insights into the redox reactivity of Fe-bearing phases in the environment

Journal of materials research, 2023-02, Vol.38 (4), p.958-973

2023

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Resolving experimental biases in the interpretation of diffusion experiments with a user-friendly numerical reactive transport approach

Scientific reports, 2023-09, Vol.13 (1), p.15029-15029, Article 15029

2023

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A database of dissolution and precipitation rates for clay-rocks minerals

Applied geochemistry, 2015-04, Vol.55, p.108-118

2015

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Influence of montmorillonite tactoid size on Na–Ca cation exchange reactions

Journal of colloid and interface science, 2011-12, Vol.364 (2), p.443-454

2011

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Molecular dynamics simulations of anion exclusion in clay interlayer nanopores

Clays and clay minerals, 2016-08, Vol.64 (4), p.374-388

2016

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Reactive Transport in Natural and Engineered Systems

1, 2020

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Evidence of Multiple Sorption Modes in Layered Double Hydroxides Using Mo As Structural Probe

Environmental science & technology, 2017-05, Vol.51 (10), p.5531-5540

2017

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Arsenic(III) Oxidation by Birnessite and Precipitation of Manganese(II) Arsenate

Environmental science & technology, 2002-02, Vol.36 (3), p.493-500

2002

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Cation Exchange Selectivity Coefficient Values on Smectite and Mixed-Layer Illite/Smectite Minerals

Soil Science Society of America journal, 2009-05, Vol.73 (3), p.928-942

2009

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Neural network based process coupling and parameter upscaling in reactive transport simulations

Geochimica et cosmochimica acta, 2020-12, Vol.291, p.126-143

2020

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A combined first principles and classical molecular dynamics study of clay-soil organic matters (SOMs) interactions

Geochimica et cosmochimica acta, 2020-12, Vol.291, p.110-125

2020

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Partitioning of sulfur between solid and liquid iron under Earth’s core conditions: Constraints from atomistic simulations with machine learning potentials

Geochimica et cosmochimica acta, 2020-12, Vol.291, p.5-18

2020

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The influence of natural trace element distribution on the mobility of radionuclides. The exemple of nickel in a clay-rock

Applied geochemistry, 2015-01, Vol.52, p.155-173

2015

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Pb(II) and Zn(II) adsorption onto Na- and Ca-montmorillonites in acetic acid/acetate medium: Experimental approach and geochemical modeling

Journal of colloid and interface science, 2011-09, Vol.361 (1), p.238-246

2011

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Fe(II)-Na(I)-Ca(II) Cation Exchange on Montmorillonite in Chloride Medium: Evidence for Preferential Clay Adsorption of Chloride – Metal Ion Pairs in Seawater

Aquatic geochemistry, 2005-06, Vol.11 (2), p.115-137

2005

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Gold solubility in alkaline and ammonia-rich hydrothermal fluids: Insights from ab initio molecular dynamics simulations

Geochimica et cosmochimica acta, 2020-12, Vol.291, p.62-78

2020

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Stern Layer Structure and Energetics at Mica–Water Interfaces

Uncertainty propagation in pore water chemical composition calculation using surrogate models

A model for discrete fracture-clay rock interaction incorporating electrostatic effects on transport

The electrophoretic mobility of montmorillonite. Zeta potential and surface conductivity effects

Modeling diffusion processes in the presence of a diffuse layer at charged mineral surfaces: a benchmark exercise

Preface to Multiscale Simulation in Geochemistry

Influence of Polarizability on the Prediction of the Electrical Double Layer Structure in a Clay Mesopore: A Molecular Dynamics Study

Influence of Water Saturation Level on Electrical Double Layer Properties in a Clay Mineral Mesopore: A Molecular Dynamics Study

Mössbauer spectrometry insights into the redox reactivity of Fe-bearing phases in the environment

Resolving experimental biases in the interpretation of diffusion experiments with a user-friendly numerical reactive transport approach

A database of dissolution and precipitation rates for clay-rocks minerals

Influence of montmorillonite tactoid size on Na–Ca cation exchange reactions

Molecular dynamics simulations of anion exclusion in clay interlayer nanopores

Reactive Transport in Natural and Engineered Systems

Evidence of Multiple Sorption Modes in Layered Double Hydroxides Using Mo As Structural Probe

Arsenic(III) Oxidation by Birnessite and Precipitation of Manganese(II) Arsenate

Cation Exchange Selectivity Coefficient Values on Smectite and Mixed-Layer Illite/Smectite Minerals

Neural network based process coupling and parameter upscaling in reactive transport simulations

A combined first principles and classical molecular dynamics study of clay-soil organic matters (SOMs) interactions

Partitioning of sulfur between solid and liquid iron under Earth’s core conditions: Constraints from atomistic simulations with machine learning potentials

The influence of natural trace element distribution on the mobility of radionuclides. The exemple of nickel in a clay-rock

Pb(II) and Zn(II) adsorption onto Na- and Ca-montmorillonites in acetic acid/acetate medium: Experimental approach and geochemical modeling

Fe(II)-Na(I)-Ca(II) Cation Exchange on Montmorillonite in Chloride Medium: Evidence for Preferential Clay Adsorption of Chloride – Metal Ion Pairs in Seawater

A Deep Alteration and Oxidation Profile in a Shallow Clay Aquitard: Example of the Tégulines Clay, East Paris Basin, France

Gold solubility in alkaline and ammonia-rich hydrothermal fluids: Insights from ab initio molecular dynamics simulations

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