Understanding interfacial water and its role in practical applications using molecular simulations

Aqueous Methane in Slit-Shaped Silica Nanopores: High Solubility and Traces of Hydrates

(2014) Anh Phan et al.   Journal of Physical Chemistry C

Specific Ion Effects in Amphiphile Hydration and Interface Stabilization

(2014) Rüdiger Scheu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Preferential Adsorption from Liquid Water–Ethanol Mixtures in Alumina Pores

(2014) Anh Phan et al.   LANGMUIR

The Role of Electrostatics in Protein–Protein Interactions of a Monoclonal Antibody

(2014) D. Roberts et al.   MOLECULAR PHARMACEUTICS

Beyond Hofmeister

(2014) Pavel Jungwirth et al.   Nature Chemistry

Disrupting dissolving ions at surfaces with fluid flow

(2014) G. A. Waychunas   SCIENCE

Liquid flow along a solid surface reversibly alters interfacial chemistry

(2014) D. Lis et al.   SCIENCE

The new view of hydrophobic free energy

(2013) Robert L. Baldwin   FEBS LETTERS

Steric effects on ion dynamics near charged electrodes

(2013) P.H.R. Alijó et al.   FLUID PHASE EQUILIBRIA

On the Thermodynamics and Kinetics of Hydrophobic Interactions at Interfaces

(2013) Srivathsan Vembanur et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics Simulations of Water Sorption in a Perfluorosulfonic Acid Membrane

(2013) Kevin B. Daly et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Hydration Structure at the α-Al2O3 (0001) Surface: Insights from Experimental Atomic Force Spectroscopic Data and Atomistic Molecular Dynamics Simulations

(2013) Dimitrios Argyris et al.   Journal of Physical Chemistry C

Partition and Structure of Aqueous NaCl and CaCl2 Electrolytes in Carbon-Slit Electrodes

(2013) R. K. Kalluri et al.   Journal of Physical Chemistry C

Fracking: What Can Physical Chemistry Offer?

(2013) Arun Yethiraj et al.   Journal of Physical Chemistry Letters

Expulsion of Ions from Hydrophobic Hydration Shells

(2013) Blake M. Rankin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Simulation Insights for Graphene-Based Water Desalination Membranes

(2013) Deepthi Konatham et al.   LANGMUIR

Wetting translucency of graphene

(2013) Chih-Jen Shih et al.   NATURE MATERIALS

Molecular-scale hydrophobic interactions between hard-sphere reference solutes are attractive and endothermic

(2013) M. I. Chaudhari et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure and thermodynamics of ssDNA oligomers near hydrophobic and hydrophilic surfaces

(2013) Robert M. Elder et al.   Soft Matter

Computational Studies of Pressure, Temperature, and Surface Effects on the Structure and Thermodynamics of Confined Water

(2012) N. Giovambattista et al.   Annual Review of Physical Chemistry

Hofmeister Phenomena: An Update on Ion Specificity in Biology

(2012) Pierandrea Lo Nostro et al.   CHEMICAL REVIEWS

Understanding ion–ion interactions in bulk and aqueous interfaces using molecular simulations

(2012) Liem X. Dang et al.   FARADAY DISCUSSIONS

A computational investigation of the phase behavior and capillary sublimation of water confined between nanoscale hydrophobic plates

(2012) Andrew L. Ferguson et al.   JOURNAL OF CHEMICAL PHYSICS

Note: Interionic potentials of mean force for Ca2+-Cl− in polarizable water

(2012) Liem X. Dang et al.   JOURNAL OF CHEMICAL PHYSICS

A Monte Carlo Simulation Study of Methane Clathrate Hydrates Confined in Slit-Shaped Pores

(2012) Somendra Nath Chakraborty et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Free Energy Barriers to Evaporation of Water in Hydrophobic Confinement

(2012) Sumit Sharma et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Structure and Dynamics in Thin Water Films at Metal Oxide Surfaces: Magnesium, Aluminum, and Silicon Oxide Surfaces

(2012) Anh Phan et al.   Journal of Physical Chemistry C

Water Desalination across Nanoporous Graphene

(2012) David Cohen-Tanugi et al.   NANO LETTERS

Wetting transparency of graphene

(2012) Javad Rafiee et al.   NATURE MATERIALS

Unraveling the potential and pore-size dependent capacitance of slit-shaped graphitic carbon pores in aqueous electrolytes

(2012) R. K. Kalluri et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Evaporation rate of water in hydrophobic confinement

(2012) S. Sharma et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

(2011) Dimitrios Argyris et al.   ACS Nano

From Interfacial Water to Macroscopic Observables: A Review

(2011) Alberto Striolo   ADSORPTION SCIENCE & TECHNOLOGY

Weak interfacial water ordering on isostructural hematite and corundum (001) surfaces

(2011) Jeffrey G. Catalano   GEOCHIMICA ET COSMOCHIMICA ACTA

Quantifying Density Fluctuations in Volumes of All Shapes and Sizes Using Indirect Umbrella Sampling

(2011) Amish J. Patel et al.   JOURNAL OF STATISTICAL PHYSICS

Molecular Insights into the Surface Morphology, Layering Structure, and Aggregation Kinetics of Surfactant-Stabilized Graphene Dispersions

(2011) Shangchao Lin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Simulating water with rigid non-polarizable models: a general perspective

(2011) Carlos Vega et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Face-Dependent Bond Lengths in Molecular Chemisorption: The Formate Species on Cu(111) and Cu(110)

(2011) D. Kreikemeyer-Lorenzo et al.   PHYSICAL REVIEW LETTERS

Unraveling the hydrophobic effect, one molecule at a time

(2011) S. Garde et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Liquid water can slip on a hydrophilic surface

(2011) T. A. Ho et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Extended surfaces modulate hydrophobic interactions of neighboring solutes

(2011) A. J. Patel et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Hydrophobicity of Proteins and Interfaces: Insights from Density Fluctuations

(2011) Sumanth N. Jamadagni et al.   Annual Review of Chemical and Biomolecular Engineering

Relaxations and Interfacial Water Ordering at the Corundum (110) Surface

(2010) Jeffrey G. Catalano   Journal of Physical Chemistry C

Water on graphene surfaces

(2010) M C Gordillo et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Understanding the Stabilization of Liquid-Phase-Exfoliated Graphene in Polar Solvents: Molecular Dynamics Simulations and Kinetic Theory of Colloid Aggregation

(2010) Chih-Jen Shih et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Green carbon as a bridge to renewable energy

(2010) James M. Tour et al.   NATURE MATERIALS

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

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

(2009) Sumanth N. Jamadagni et al.   LANGMUIR

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

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

Science and technology for water purification in the coming decades

(2008) Mark A. Shannon et al.   NATURE

Pairwise-additive hydrophobic effect for alkanes in water

(2008) J. Wu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA