Publications by the researcher in collaboration with Juan Luis Aragonés Gómez (17)

2016

  1. Consensus on the solubility of NaCl in water from computer simulations using the chemical potential route

    Journal of Chemical Physics, Vol. 144, Núm. 12

2014

  1. Computer simulation study of the structure of LiCl aqueous solutions: Test of non-standard mixing rules in the ion interaction

    Journal of Physical Chemistry B, Vol. 118, Núm. 28, pp. 7680-7691

2013

  1. Free energy calculations for molecular solids using GROMACS

    Journal of Chemical Physics, Vol. 139, Núm. 3

2012

  1. A study of the influence of isotopic substitution on the melting point and temperature of maximum density of water by means of path integral simulations of rigid models

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 43, pp. 15199-15205

  2. Calculation of the melting point of alkali halides by means of computer simulations

    Journal of Chemical Physics, Vol. 137, Núm. 10

  3. Note: Free energy calculations for atomic solids through the Einstein crystal/molecule methodology using GROMACS and LAMMPS

    Journal of Chemical Physics, Vol. 137, Núm. 14

  4. Solubility of NaCl in water by molecular simulation revisited

    Journal of Chemical Physics, Vol. 136, Núm. 24

  5. The phase diagram of water from quantum simulations

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 29, pp. 10140-10146

2011

  1. Dielectric constant of ices and water: A lesson about water interactions

    Journal of Physical Chemistry A, Vol. 115, Núm. 23, pp. 5745-5758

  2. Phase diagram of water under an applied electric field

    Physical Review Letters, Vol. 107, Núm. 15

2009

  1. Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: Density maxima, and density, isothermal compressibility and heat capacity minima

    Molecular Physics, Vol. 107, Núm. 4-6, pp. 365-374

  2. Plastic crystal phases of simple water models

    Journal of Chemical Physics, Vol. 130, Núm. 24

  3. 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

    Physical Chemistry Chemical Physics, Vol. 11, Núm. 3, pp. 543-555

2008

  1. A successful model for the condensed phases of water : TIP4P/2005

    AIChE Annual Meeting, Conference Proceedings

  2. What ice can teach us about water interactions: A critical comparison of the performance of different water models

    Faraday Discussions, Vol. 141, pp. 251-276

2007

  1. Equation of state, thermal expansion coefficient, and isothermal compressibility for ices Ih, II, III, V, and VI, as obtained from computer simulation

    Journal of Physical Chemistry C, Vol. 111, Núm. 43, pp. 15877-15888

  2. Properties of ices at 0 K: A test of water models

    Journal of Chemical Physics, Vol. 127, Núm. 15