List of works - Ariel A Chialvo

Aqua ions-graphene interfacial and confinement behavior: insights from isobaric-isothermal molecular dynamics

scientific article published on 14 April 2011

Computer simulation of the 13 crystalline phases of ice

scientific article published on 01 August 2005

Correspondence between cluster-ion and bulk solution thermodynamic properties: on the validity of the cluster-pair-based approximation.

scientific article published on 24 October 2013

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

scientific article published in October 2005

Effect of the range of interactions on the properties of fluids. 2. Structure and phase behavior of acetonitrile, hydrogen fluoride, and formic acid

scientific article published on 01 May 2005

Ewald summation approach to potential models of aqueous electrolytes involving gaussian charges and induced dipoles: formal and simulation results

scientific article published on 17 November 2014

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

scientific article published in June 2005

Gas solubility in dilute solutions: A novel molecular thermodynamic perspective

scientific article published on 01 May 2018

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

scientific article

Ion association in aqueous LiCl solutions at high concentration: predicted results via molecular simulation

scientific article published on 01 April 2006

Limitations of the rigid planar nonpolarizable models of water

scientific article published on 01 February 2006

Liquid-vapor equilibrium isotopic fractionation of water: how well can classical water models predict it?

scientific article published in March 2009

Liquid-vapor isotopic fractionation factors of diatomic fluids: a direct comparison between molecular simulation and experiment

scientific article published on 01 July 2006

NO3(-) coordination in aqueous solutions by (15)N/(14)N and (18)O/(nat)O isotopic substitution: what can we learn from molecular simulation?

scientific article published on 30 December 2014

Novel corresponding-states principle approach for the equation of state of isotopologues: H2(18)O as an example.

scientific article published in January 2007

On the Solute-Induced Structure-Making/Breaking Effect: Rigorous Links among Microscopic Behavior, Solvation Properties, and Solution Non-Ideality

scientific article published on 18 March 2019

On the behavior of the osmotic second virial coefficients of gases in aqueous solutions: Rigorous results, accurate approximations, and experimental evidence

scientific article published on 01 March 2019

Optimized unlike-pair interactions for water-carbon dioxide mixtures described by the SPC/E and EPM2 models

scientific article published on 22 June 2011

Polarization behavior of water in extreme aqueous environments: A molecular dynamics study based on the Gaussian charge polarizable water model.

scientific article published on August 2010

Rigorous force field optimization principles based on statistical distance minimization

scientific article

Simulated water adsorption in chemically heterogeneous carbon nanotubes.

scientific article published in February 2006

Solvation behavior of short-chain polystyrene sulfonate in aqueous electrolyte solutions: a molecular dynamics study

scientific article published on 01 December 2005

Thermodynamics of small alkali metal halide cluster ions: comparison of classical molecular simulations with experiment and quantum chemistry

scientific article published on 09 January 2015

Translational diffusion of water inside hydrophobic carbon micropores studied by neutron spectroscopy and molecular dynamics simulation ⬇️

scientific article published on 17 February 2015

Use of the McQuarrie equation for the computation of shear viscosity via equilibrium molecular dynamics.

scientific article published in April 1991

Vapor-liquid equilibrium and polarization behavior of the GCP water model: Gaussian charge-on-spring versus dipole self-consistent field approaches to induced polarization

scientific article published on 03 April 2015

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