Solvated calcium ions in charged silica nanopores

Aqueous electrolytes confined within functionalized silica nanopores

(2011) Pablo E. Videla et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics simulations of the electrical double layer on smectite surfaces contacting concentrated mixed electrolyte (NaCl–CaCl2) solutions

(2011) Ian C. Bourg et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Hydrophobic Transition in Porous Amorphous Silica

(2011) Bertrand Siboulet et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Loading-Controlled Stiffening in Nanoconfined Ionic Liquids

(2011) Benoit Coasne et al.   Journal of Physical Chemistry Letters

Aqueous NaCl and CsCl Solutions Confined in Crystalline Slit-Shaped Silica Nanopores of Varying Degree of Protonation

(2011) Tuan A. Ho et al.   LANGMUIR

Temperature accelerated Monte Carlo (TAMC): a method for sampling the free energy surface of non-analytical collective variables

(2011) Giovanni Ciccotti et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2010) Dimitrios Argyris et al.   ACS Nano

Molecular Simulation of Ion-Specific Effects in Confined Electrolyte Solutions Using Polarizable Forcefields

(2010) P.-A. Cazade et al.   Journal of Physical Chemistry C

Molecular simulation of aqueous solutions at clay surfaces

(2010) B Rotenberg et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Molecular simulation of water confined in nanoporous silica

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

Molecular Simulation of Nitrogen Adsorption in Nanoporous Silica

(2010) B. Coasne et al.   LANGMUIR

Atomistic Simulation of Creep in a Nanocrystal

(2010) Timothy T. Lau et al.   PHYSICAL REVIEW LETTERS

Large-scale conformational sampling of proteins using temperature-accelerated molecular dynamics

(2010) C. F. Abrams et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A self-learning algorithm for biased molecular dynamics

(2010) Gareth A. Tribello et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Concrete and Cement Paste Studied by Quasi-Elastic Neutron Scattering

(2010) Heloisa N. Bordallo et al.   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS

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

Computing the viscosity of supercooled liquids

(2009) Akihiro Kushima et al.   JOURNAL OF CHEMICAL PHYSICS

Effect of Surface Polarity on the Structure and Dynamics of Water in Nanoscale Confinement

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

Molecular Simulation of Ion Transport in Silica Nanopores

(2009) Katsuhiro Shirono 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

Cation Behavior in Faujasite Zeolites upon Water Adsorption: A Combination of Monte Carlo and Molecular Dynamics Simulations

(2009) Cyril Abrioux et al.   Journal of Physical Chemistry C

Quantification of Water and Silanol Species on Various Silicas by Coupling IR Spectroscopy and in-Situ Thermogravimetry

(2009) Jean-Paul Gallas et al.   LANGMUIR

Hydration Structure on Crystalline Silica Substrates

(2009) Dimitrios Argyris et al.   LANGMUIR

Adsorption and Structure of Benzene on Silica Surfaces and in Nanopores

(2009) Benoit Coasne et al.   LANGMUIR

Grand Canonical Monte Carlo Simulation Study of Water Adsorption in Silicalite at 300 K

(2008) Joël Puibasset et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Quasi-Elastic Neutron Scattering Studies on Clay Interlayer-Space Highlighting the Effect of the Cation in Confined Water Dynamics

(2008) Heloisa N. Bordallo et al.   Journal of Physical Chemistry C

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

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

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

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

Signature of Low-Dimensional Diffusion in Complex Systems

(2008) N. Malikova et al.   PHYSICAL REVIEW LETTERS

Quantum Differences between Heavy and Light Water

(2008) A. K. Soper et al.   PHYSICAL REVIEW LETTERS

Transport phenomena in nanofluidics

(2008) Reto B. Schoch et al.   REVIEWS OF MODERN PHYSICS

Engineering the bonding scheme in C–S–H: The iono-covalent framework

(2007) R.J.-M. Pellenq et al.   CEMENT AND CONCRETE RESEARCH

Water as an Active Constituent in Cell Biology

(2007) Philip Ball   CHEMICAL REVIEWS