From Interfacial Water to Macroscopic Observables: A Review

Structure and Orientation of Interfacial Water Determine Atomic Force Microscopy Results: Insights from Molecular Dynamics Simulations

(2011) Dimitrios Argyris et al.   ACS Nano

Sources of the deficiencies in the popular SPC/E and TIP3P models of water

(2011) Péter T. Kiss et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Dynamics Studies of Interfacial Water at the Alumina Surface

(2011) Dimitrios Argyris et al.   Journal of Physical Chemistry C

A Computational Investigation into the Suitability of Purely Siliceous Zeolites as Reverse Osmosis Membranes

(2011) Zak E. Hughes et al.   Journal of Physical Chemistry C

Effect of Surface Morphology on the Ordered Water Layer at Room Temperature

(2011) Chunlei Wang et al.   Journal of Physical Chemistry C

Simulations of the Quartz(101̅1)/Water Interface: A Comparison of Classical Force Fields, Ab Initio Molecular Dynamics, and X-ray Reflectivity Experiments

(2011) A. A. Skelton et al.   Journal of Physical Chemistry C

Structure and Energetics of Thin Film Water

(2011) Santiago Romero-Vargas Castrillón et al.   Journal of Physical Chemistry C

Specific and Nonspecific Metal Ion−Nucleotide Interactions at Aqueous/Solid Interfaces Functionalized with Adenine, Thymine, Guanine, and Cytosine Oligomers

(2011) Joseph G. Holland et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Glassy Nature of Water in an Ultraconfining Disordered Material: The Case of Calcium−Silicate−Hydrate

(2011) Mostafa Youssef et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Amphiphilic Silica Nanoparticles at the Decane−Water Interface: Insights from Atomistic Simulations

(2011) Heng Fan et al.   LANGMUIR

Interfacial water on crystalline silica: a comparative molecular dynamics simulation study

(2011) Tuan A. Ho et al.   MOLECULAR SIMULATION

Adhesive water networks facilitate binding of protein interfaces

(2011) Mazen Ahmad et al.   Nature Communications

Ion-Specific Effects under Confinement: The Role of Interfacial Water

(2010) Dimitrios Argyris et al.   ACS Nano

Stabilization of Aqueous Carbon Nanotube Dispersions Using Surfactants: Insights from Molecular Dynamics Simulations

(2010) Naga Rajesh Tummala et al.   ACS Nano

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

(2010) Jean-François Dufrêche et al.   ANAIS DA ACADEMIA BRASILEIRA DE CIENCIAS

Biological water: A critique

(2010) Dongping Zhong et al.   CHEMICAL PHYSICS LETTERS

Interactions of Al(III), La(III), Gd(III), and Lu(III) with the Fused Silica/Water Interface Studied by Second Harmonic Generation

(2010) David S. Jordan et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

The influence of molecular-scale roughness on the surface spreading of an aqueous nanodrop

(2010) Christopher D. Daub et al.   FARADAY DISCUSSIONS

Visualizing water molecule distribution by atomic force microscopy

(2010) Kenjiro Kimura et al.   JOURNAL OF CHEMICAL PHYSICS

Liquid to quasicrystal transition in bilayer water

(2010) Jessica C. Johnston et al.   JOURNAL OF CHEMICAL PHYSICS

Structure of the Cetyltrimethylammonium Surfactant at Fused Silica/Aqueous Interfaces Studied by Vibrational Sum Frequency Generation

(2010) Patrick L. Hayes et al.   JOURNAL OF PHYSICAL CHEMISTRY B

On the Investigation of Coarse-Grained Models for Water: Balancing Computational Efficiency and the Retention of Structural Properties

(2010) Kevin R. Hadley et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Liquid−Vapor Oscillations of Water Nanoconfined between Hydrophobic Disks: Thermodynamics and Kinetics

(2010) Limei Xu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Aqueous Solution Structure over α-Al2O3(011̅2) Probed by Frequency-Modulation Atomic Force Microscopy

(2010) Takumi Hiasa et al.   Journal of Physical Chemistry C

Molecular simulation of water confined in nanoporous silica

(2010) P A Bonnaud et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Visualization of Ion Distribution at the Mica−Electrolyte Interface

(2010) Siu-Hong Loh et al.   LANGMUIR

Metal Cation Complexation with Natural Organic Matter in Aqueous Solutions: Molecular Dynamics Simulations and Potentials of Mean Force

(2010) Eugenia Iskrenova-Tchoukova et al.   LANGMUIR

Lateral confinement effects on the structural properties of surfactant aggregates: SDS on graphene

(2010) Naga Rajesh Tummala et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Freezing, melting and structure of ice in a hydrophilic nanopore

(2010) Emily B. Moore et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

At the interface: solvation and designing ionic liquids

(2010) Robert Hayes et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Atomic-Scale Distribution of Water Molecules at the Mica-Water Interface Visualized by Three-Dimensional Scanning Force Microscopy

(2010) Takeshi Fukuma et al.   PHYSICAL REVIEW LETTERS

SDS Surfactants on Carbon Nanotubes: Aggregate Morphology

(2009) Naga Rajesh Tummala et al.   ACS Nano

Molecular Simulations of Water and Ion Diffusion in Nanosized Mineral Fractures

(2009) Sebastien Kerisit et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

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

(2009) Benjamin Rotenberg et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

Molecular dynamics simulation of the contact angle of liquids on solid surfaces

(2009) Bo Shi et al.   JOURNAL OF CHEMICAL PHYSICS

Water dynamics in large and small reverse micelles: From two ensembles to collective behavior

(2009) David E. Moilanen et al.   JOURNAL OF CHEMICAL PHYSICS

Coarse-grained ions without charges: Reproducing the solvation structure of NaCl in water using short-ranged potentials

(2009) Robert C. DeMille et al.   JOURNAL OF CHEMICAL PHYSICS

Static and dynamic contact angles of water droplet on a solid surface using molecular dynamics simulation

(2009) Seung Do Hong et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Molecular dynamics simulations of water confined in graphene nanochannels: From ambient to supercritical environments

(2009) J. Martí et al.   JOURNAL OF MOLECULAR LIQUIDS

Fourth and Fifth Virial Coefficients of Polarizable Water

(2009) Kenneth M. Benjamin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Water Dynamics at the Interface in AOT Reverse Micelles

(2009) David E. Moilanen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effect of Temperature on the Structure and Phase Behavior of Water Confined by Hydrophobic, Hydrophilic, and Heterogeneous Surfaces†

(2009) Nicolas Giovambattista et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Evolution from Surface-Influenced to Bulk-Like Dynamics in Nanoscopically Confined Water

(2009) Santiago Romero-Vargas Castrillón et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Dissociative Chemisorption of Water onto Silica Surfaces and Formation of Hydronium Ions

(2009) Thiruvilla Mahadevan et al.   Journal of Physical Chemistry C

Asymmetric Hydrogen Bonding and Orientational Ordering of Water at Hydrophobic and Hydrophilic Surfaces: A Comparison of Water/Vapor, Water/Talc, and Water/Mica Interfaces

(2009) Jianwei Wang et al.   Journal of Physical Chemistry C

Dynamic Behavior of Interfacial Water at the Silica Surface

(2009) Dimitrios Argyris et al.   Journal of Physical Chemistry C

Dynamics of Water and Ions Near DNA: Comparison of Simulation to Time-Resolved Stokes-Shift Experiments

(2009) Sobhan Sen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hydration Structure on Crystalline Silica Substrates

(2009) Dimitrios Argyris et al.   LANGMUIR

How Surface Wettability Affects the Binding, Folding, and Dynamics of Hydrophobic Polymers at Interfaces

(2009) Sumanth N. Jamadagni et al.   LANGMUIR

Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima

(2009) Helena L. Pi et al.   MOLECULAR PHYSICS

Forces between functionalized silica nanoparticles in solution

(2009) J. Matthew D. Lane et al.   PHYSICAL REVIEW E

Stable Liquid Water Droplet on a Water Monolayer Formed at Room Temperature on Ionic Model Substrates

(2009) Chunlei Wang et al.   PHYSICAL REVIEW LETTERS

How Wetting and Adhesion Affect Thermal Conductance of a Range of Hydrophobic to Hydrophilic Aqueous Interfaces

(2009) Natalia Shenogina et al.   PHYSICAL REVIEW LETTERS

Characterizing hydrophobicity of interfaces by using cavity formation, solute binding, and water correlations

(2009) R. Godawat et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Enhanced surface hydrophobicity by coupling of surface polarity and topography

(2009) N. Giovambattista et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Water dynamics at neutral and ionic interfaces

(2009) E. E. Fenn et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Desolvation of Ions in Subnanometer Pores and Its Effect on Capacitance and Double-Layer Theory

(2008) John Chmiola et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Transport Processes at α-Quartz–Water Interfaces: Insights from First-Principles Molecular Dynamics Simulations

(2008) Waheed A. Adeagbo et al.   CHEMPHYSCHEM

Review of Fluid Slip over Superhydrophobic Surfaces and Its Dependence on the Contact Angle

(2008) Roman S. Voronov et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Predictive first-principles simulations of strain-induced phenomena at water-silica nanotube interfaces

(2008) Yao He et al.   JOURNAL OF CHEMICAL PHYSICS

Diffraction and IR/Raman data do not prove tetrahedral water

(2008) Mikael Leetmaa et al.   JOURNAL OF CHEMICAL PHYSICS

Computation of interfacial properties via grand canonical transition matrix Monte Carlo simulation

(2008) Eric M. Grzelak et al.   JOURNAL OF CHEMICAL PHYSICS

Hydrogen-Bond Dynamics for Water Confined in Carbon Tetrachloride−Acetone Mixtures

(2008) Naga Rajesh Tummala et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Hydrogen Bond Breaking Mechanism and Water Reorientational Dynamics in the Hydration Layer of Lysozyme

(2008) Biman Jana et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Water Modeled As an Intermediate Element between Carbon and Silicon†

(2008) Valeria Molinero et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Structure and Dynamics in Thin Water Films at the Silica and Graphite Surfaces

(2008) Dimitrios Argyris et al.   Journal of Physical Chemistry C

Co-Ion and Ion Competition Effects:  Ion Distributions Close to a Hydrophobic Solid Surface in Mixed Electrolyte Solutions

(2008) E. R. A. Lima et al.   LANGMUIR

Experimental Studies on the Adsorption of Two Surfactants on Solid−Aqueous Interfaces:  Adsorption Isotherms and Kinetics

(2008) Camille Gutig et al.   LANGMUIR

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

(2008) Virginie Marry et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Modeling microstructural evolution using atomic density function and effective pair potentials

(2008) Ji Hee Kim et al.   PHYSICAL REVIEW B

Ion exclusion by sub-2-nm carbon nanotube pores

(2008) F. Fornasiero et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

CHEMISTRY: A Curious Antipathy for Water

(2008) S. Granick et al.   SCIENCE

Molecular dynamics simulations of the orthoclase (001)- and (010)-water interfaces

(2007) Sebastien Kerisit et al.   GEOCHIMICA ET COSMOCHIMICA ACTA