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List of works by Carlos Vega

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A general purpose model for the condensed phases of water: TIP4P/2005

scientific article (publication date: 15 December 2005)
Simulating water with rigid non-polarizable models: a general perspective

scientific article published on September 16, 2011
A potential model for the study of ices and amorphous water: TIP4P/Ice.

scientific article published in June 2005
What ice can teach us about water interactions: a critical comparison of the performance of different water models.

scientific article published in January 2009
Water: A Tale of Two Liquids.

scientific article
Surface tension of the most popular models of water by using the test-area simulation method

scientific article published on 01 April 2007
Homogeneous ice nucleation at moderate supercooling from molecular simulation

scientific article
Revisiting the Frenkel-Ladd method to compute the free energy of solids: the Einstein molecule approach

scientific article published in October 2007
Determination of the melting point of hard spheres from direct coexistence simulation methods

scientific article published in April 2008
Widom line and the liquid-liquid critical point for the TIP4P/2005 water model

scientific article published on 01 December 2010
Solubility of KF and NaCl in water by molecular simulation.

scientific article published on January 2007
Local order parameters for use in driving homogeneous ice nucleation with all-atom models of water.

scientific article published in November 2012
Solubility of NaCl in water by molecular simulation revisited

scientific article published on June 28, 2012
A potential model for methane in water describing correctly the solubility of the gas and the properties of the methane hydrate

scientific article published in August 2006
The melting temperature of the most common models of water

scientific article published on 01 March 2005
Dielectric constant of ices and water: a lesson about water interactions.

scientific article published on 24 September 2010
The melting temperature of the six site potential model of water

article
Note: Equation of state and compressibility of supercooled water: simulations and experiment.

scientific article published in May 2011
The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase

scientific article
On fluid-solid direct coexistence simulations: the pseudo-hard sphere model

scientific article published in October 2013
Phase diagram of water from computer simulation

scientific article published on 22 June 2004
Competition between ices Ih and Ic in homogeneous water freezing.

scientific article published in October 2015
Determining the phase diagram of water from direct coexistence simulations: the phase diagram of the TIP4P/2005 model revisited

scientific article
Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice

scientific article published on 01 July 2006
Consensus on the solubility of NaCl in water from computer simulations using the chemical potential route.

scientific article published in March 2016
Freezing transition and interaction potential in monolayers of microparticles at fluid interfaces.

scientific article
Dielectric constant of ice Ih and ice V: a computer simulation study.

scientific article published in May 2010
Relation between the melting temperature and the temperature of maximum density for the most common models of water

scientific article published on 01 October 2005
The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface

scientific article published on 01 April 2006
On the calculation of solubilities via direct coexistence simulations: Investigation of NaCl aqueous solutions and Lennard-Jones binary mixtures.

scientific article published in October 2016
Homogeneous ice nucleation evaluated for several water models

scientific article published on 01 November 2014
Free energy calculations for molecular solids using GROMACS.

scientific article published in July 2013
Computer simulation study of the global phase behavior of linear rigid Lennard-Jones chain molecules: comparison with flexible models.

scientific article published in February 2004
Plastic crystal phases of simple water models

scientific article published on 01 June 2009
The thickness of a liquid layer on the free surface of ice as obtained from computer simulation

scientific article published on 01 July 2008
Dynamic defrosting on nanostructured superhydrophobic surfaces

scientific article published on 16 July 2013
Investigation of the salting out of methane from aqueous electrolyte solutions using computer simulations

scientific article published on 27 June 2007
Determining the three-phase coexistence line in methane hydrates using computer simulations

scientific article published on 01 August 2010
Seeding approach to crystal nucleation

scientific article published on 01 January 2016
The phase diagram of water at negative pressures: virtual ices

scientific article published on 01 July 2009
Computing the free energy of molecular solids by the Einstein molecule approach: Ices XIII and XIV, hard-dumbbells and a patchy model of proteins

scientific article published on 01 September 2008
Monte Carlo simulation of flexible trimers: from square well chains to amphiphilic primitive models

scientific article published in September 2013
Interfacial Free Energy as the Key to the Pressure-Induced Deceleration of Ice Nucleation.

scientific article
Radial distribution functions and densities for the SPC/E, TIP4P and TIP5P models for liquid water and ices Ih, Ic, II, III, IV, V, VI, VII, VIII, IX, XI and XII

scientific article published on 01 April 2005
Note: a simple correlation to locate the three phase coexistence line in methane-hydrate simulations

scientific article
Phase diagram of model anisotropic particles with octahedral symmetry

scientific article published on 01 August 2007
A new intermolecular potential for simulations of methanol: The OPLS/2016 model.

scientific article published on July 2016
Molecular dynamics simulation of CO2 hydrates: Prediction of three phase coexistence line

scientific article published on 01 March 2015
On the time required to freeze water

scientific article published in December 2016
Tracing the phase diagram of the four-site water potential (TIP4P)

scientific article published on 01 July 2004

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