Ariel A. Chialvo

Best Publications

• Ion adsorption at the rutile-water interface: linking molecular and macroscopic properties.

  Z. Zhang;Z. Zhang;P. Fenter;L. Cheng;N. C. Sturchio;N. C. Sturchio

  394
  Citations

• Electric Double Layer at the Rutile (110) Surface. 1. Structure of Surfaces and Interfacial Water from Molecular Dynamics by Use of ab Initio Potentials

  M. Předota;A. V. Bandura;P. T. Cummings;J. D. Kubicki

  352
  Citations

• Water in carbon nanotubes: adsorption isotherms and thermodynamic properties from molecular simulation.

  A. Striolo;A. A. Chialvo;K. E. Gubbins;P. T. Cummings

  285
  Citations

• From dimer to condensed phases at extreme conditions: Accurate predictions of the properties of water by a Gaussian charge polarizable model

  Patrice Paricaud;Milan Predota;Ariel A Chialvo;Peter T Cummings

  273
  Citations

• Water Adsorption in Carbon-Slit Nanopores

  Alberto Striolo;Ariel A. Chialvo;Peter T. Cummings;Keith E. Gubbins

  261
  Citations

• Solute-induced effects on the structure and thermodynamics of infinitely dilute mixtures

  Ariel A. Chialvo;Peter T. Cummings

  218
  Citations

• Engineering a simple polarizable model for the molecular simulation of water applicable over wide ranges of state conditions

  Ariel A. Chialvo;Peter T. Cummings

  214
  Citations

• NA+-CL- ION PAIR ASSOCIATION IN SUPERCRITICAL WATER

  A. A. Chialvo;P. T. Cummings;H. D. Cochran;J. M. Simonson

  189
  Citations

• Hydrogen bonding in supercritical water

  Ariel A. Chialvo;Peter T. Cummings

  169
  Citations

• Microstructure of ambient and supercritical water. Direct comparison between simulation and neutron scattering experiments

  Ariel A. Chialvo;Peter T. Cummings

  165
  Citations

• Determination of the Gibbs Free Energy of Gas Replacement in SI Clathrate Hydrates by Molecular Simulation

  Eric M. Yezdimer;Peter T. Cummings;Ariel A. Chialvo

  159
  Citations

• Molecular dynamics study of the structure and thermophysical properties of model sI clathrate hydrates

  A. A. Chialvo;Mohammed Houssa;P. T. Cummings

  150
  Citations

• Supercritical fluid behavior at nanoscale interfaces: Implications for CO2 sequestration in geologic formations

  David R Cole;Ariel A Chialvo;Gernot Rother;L. Vlcek

  145
  Citations

• Understanding controls on interfacial wetting at epitaxial graphene: Experiment and Theory

  Hua Zhou;Panchapakesan Ganesh;Volker Presser;Matthew C Wander

  129
  Citations

• Simulated water adsorption in chemically heterogeneous carbon nanotubes.

  Alberto Striolo;Ariel A. Chialvo;Peter T. Cummings;Keith E. Gubbins

  128
  Citations

• The structure of CaCl2 aqueous solutions over a wide range of concentration. Interpretation of diffraction experiments via molecular simulation

  Ariel A. Chialvo;J. Michael Simonson

  128
  Citations

• Molecular‐Based Modeling of Water and Aqueous Solutions at Supercritical Conditions

  Ariel A. Chialvo;Peter T. Cummings

  126
  Citations

• Simulated water adsorption isotherms in carbon nanopores

  Alberto Striolo;Keith E. Gubbins;Ariel A. Chialvo;Peter T. Cummings

  117
  Citations

• Effect of temperature on the adsorption of water in porous carbons.

  A Striolo;K E Gubbins;M S Gruszkiewicz;D R Cole

  103
  Citations

• Simple transferable intermolecular potential for the molecular simulation of water over wide ranges of state conditions

  Ariel A. Chialvo;Peter T. Cummings;Peter T. Cummings

  100
  Citations