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Mineral- and Ion-Specific Effects at Clay–Water Interfaces: Structure, Diffusion, and Hydrodynamics

Journal of physical chemistry. C, 2018-08, Vol.122 (32), p.18484-18492

2018

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Structure and dynamics of water at a clay surface from molecular dynamics simulation

Physical chemistry chemical physics : PCCP, 2008-01, Vol.10 (32), p.4802-4813

2008

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Carbon Dioxide in Montmorillonite Clay Hydrates: Thermodynamics, Structure, and Transport from Molecular Simulation

Journal of physical chemistry. C, 2010-09, Vol.114 (35), p.14962-14969

2010

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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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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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Classical Polarizable Force Field for Clays: Pyrophyllite and Talc

Journal of physical chemistry. C, 2016-02, Vol.120 (7), p.3749-3758

2016

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Classical Polarizable Force Field To Study Hydrated Charged Clays and Zeolites

Journal of physical chemistry. C, 2018-11, Vol.122 (43), p.24690-24704

2018

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On the driving force of cation exchange in clays: Insights from combined microcalorimetry experiments and molecular simulation

Geochimica et cosmochimica acta, 2009-07, Vol.73 (14), p.4034-4044

2009

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Water and ions in clays: Unraveling the interlayer/micropore exchange using molecular dynamics

Geochimica et cosmochimica acta, 2007-11, Vol.71 (21), p.5089-5101

2007

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Neutron Time-of-Flight Quantification of Water Desorption Isotherms of Montmorillonite

Journal of physical chemistry. C, 2012-03, Vol.116 (9), p.5558-5570

2012

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Neutron scattering, a powerful tool to study clay minerals

Applied clay science, 2014-07, Vol.96, p.22-35

2014

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Hydration of clays at the molecular scale: the promising perspective of classical density functional theory

Molecular physics, 2014-05, Vol.112 (9-10), p.1320-1329

2014

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How do Nucleotides Adsorb Onto Clays?

Life (Basel, Switzerland), 2018-11, Vol.8 (4), p.59

2018

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133 Cs Nuclear Magnetic Resonance Relaxometry as a Probe of the Mobility of Cesium Cations Confined within Dense Clay Sediments

Journal of physical chemistry. C, 2015-07, Vol.119 (27), p.15360-15372

2015

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Classical Polarizable Force Field to Study Hydrated Hectorite: Optimization on DFT Calculations and Validation against XRD Data

Minerals (Basel), 2018-05, Vol.8 (5), p.205

2018

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Dynamics in Clays - Combining Neutron Scattering and Microscopic Simulation

Zeitschrift für physikalische Chemie (Neue Folge), 2010-02, Vol.224 (1), p.153-181

2010

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Diffusion in bulk liquids: finite-size effects in anisotropic systems

Molecular physics, 2015-09, Vol.113 (17-18), p.2674-2679

2015

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Diffusion under Confinement: Hydrodynamic Finite-Size Effects in Simulation

Journal of chemical theory and computation, 2017-06, Vol.13 (6), p.2881-2889

2017

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Hydrodynamics in Clay Nanopores

Journal of physical chemistry. C, 2011-08, Vol.115 (32), p.16109-16115

2011

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Diffusion coefficient and shear viscosity of rigid water models

Journal of physics. Condensed matter, 2012-07, Vol.24 (28), p.284117-284117

2012

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Electronic Structure Sensitivity to Hydration in Smectite Clays Unveiled by Near-Ambient Pressure X-ray Photoelectron Spectroscopy

Journal of physical chemistry. C, 2024-09

2024

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Role of Cationic Organization on Water Dynamics in Saponite Clays

Journal of physical chemistry. C, 2024-03, Vol.128 (10), p.4233-4244

2024

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Bridging molecular and continuous descriptions: the case of dynamics in clays

Anais da Academia Brasileira de Ciências, 2010-03, Vol.82 (1), p.61-68

2010

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Computation of the Hydrodynamic Radius of Charged Nanoparticles from Non-equilibrium Molecular Dynamics

The journal of physical chemistry. B, 2018-05, Vol.122 (22), p.5940-5950

2018

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Computation of the Hydrodynamic Radius of Charged Nanoparticles from Nonequilibrium Molecular Dynamics

The journal of physical chemistry. B, 2018-06, Vol.122 (22), p.5940-5950

2018

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Mineral- and Ion-Specific Effects at Clay–Water Interfaces: Structure, Diffusion, and Hydrodynamics

Structure and dynamics of water at a clay surface from molecular dynamics simulation

Carbon Dioxide in Montmorillonite Clay Hydrates: Thermodynamics, Structure, and Transport from Molecular Simulation

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

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

Classical Polarizable Force Field for Clays: Pyrophyllite and Talc

Classical Polarizable Force Field To Study Hydrated Charged Clays and Zeolites

On the driving force of cation exchange in clays: Insights from combined microcalorimetry experiments and molecular simulation

Water and ions in clays: Unraveling the interlayer/micropore exchange using molecular dynamics

Neutron Time-of-Flight Quantification of Water Desorption Isotherms of Montmorillonite

Neutron scattering, a powerful tool to study clay minerals

Hydration of clays at the molecular scale: the promising perspective of classical density functional theory

How do Nucleotides Adsorb Onto Clays?

133 Cs Nuclear Magnetic Resonance Relaxometry as a Probe of the Mobility of Cesium Cations Confined within Dense Clay Sediments

Classical Polarizable Force Field to Study Hydrated Hectorite: Optimization on DFT Calculations and Validation against XRD Data

Dynamics in Clays - Combining Neutron Scattering and Microscopic Simulation

Diffusion in bulk liquids: finite-size effects in anisotropic systems

Diffusion under Confinement: Hydrodynamic Finite-Size Effects in Simulation

Hydrodynamics in Clay Nanopores

Diffusion coefficient and shear viscosity of rigid water models

Electronic Structure Sensitivity to Hydration in Smectite Clays Unveiled by Near-Ambient Pressure X-ray Photoelectron Spectroscopy

Role of Cationic Organization on Water Dynamics in Saponite Clays

Bridging molecular and continuous descriptions: the case of dynamics in clays

Computation of the Hydrodynamic Radius of Charged Nanoparticles from Non-equilibrium Molecular Dynamics

Computation of the Hydrodynamic Radius of Charged Nanoparticles from Nonequilibrium Molecular Dynamics

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