Publicaciones (103) Publicaciones de JOSÉ LUIS FERNÁNDEZ ABASCAL

2023

  1. Computation of Electrical Conductivities of Aqueous Electrolyte Solutions: Two Surfaces, One Property

    Journal of Chemical Theory and Computation, Vol. 19, Núm. 16, pp. 5380-5393

  2. Fluids meet solids

    Journal of Chemical Physics

  3. On the possible locus of the liquid-liquid critical point in real water from studies of supercooled water using the TIP4P/Ice model

    Journal of Chemical Physics, Vol. 158, Núm. 20

2022

  1. The Madrid-2019 force field for electrolytes in water using TIP4P/2005 and scaled charges: Extension to the ions F-, Br-, I-, Rb+, and Cs+

    Journal of Chemical Physics, Vol. 156, Núm. 4

2021

  1. "in Silico" Seawater

    Journal of Chemical Theory and Computation, Vol. 17, Núm. 3, pp. 1715-1725

2020

  1. Effect of dissolved salt on the anomalies of water at negative pressure

    The Journal of chemical physics, Vol. 152, Núm. 19, pp. 194501

  2. Scaled charges at work: Salting out and interfacial tension of methane with electrolyte solutions from computer simulations

    Fluid Phase Equilibria, Vol. 513

2019

  1. A force field of Li+, Na+, K+, Mg2+, Ca2+, Cl-, and S O 4 2 - In aqueous solution based on the TIP4P/2005 water model and scaled charges for the ions

    Journal of Chemical Physics, Vol. 151, Núm. 13

2018

  1. Erratum: "Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions" [J. Chem. Phys. 146, 034502 (2017)

    The Journal of chemical physics

2017

  1. A potential model for sodium chloride solutions based on the TIP4P/2005 water model

    Journal of Chemical Physics, Vol. 147, Núm. 10

  2. Estimating the solubility of 1:1 electrolyte aqueous solutions: the chemical potential difference rule

    Molecular Physics, Vol. 115, Núm. 9-12, pp. 1301-1308

  3. Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions

    Journal of Chemical Physics, Vol. 146, Núm. 3

2016

  1. A comprehensive scenario of the thermodynamic anomalies of water using the TIP4P/2005 model

    Journal of Chemical Physics, Vol. 145, Núm. 5

  2. Equation of state for water and its line of density maxima down to-120 MPa

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 8, pp. 5896-5900

  3. Molecular mechanism for cavitation in water under tension

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 113, Núm. 48, pp. 13582-13587

2015

  1. Bubble nucleation in simple and molecular liquids via the largest spherical cavity method

    Journal of Chemical Physics, Vol. 142, Núm. 15

2014

  1. Anomalies in bulk supercooled water at negative pressure

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 111, Núm. 22, pp. 7936-7941

  2. Detecting vapour bubbles in simulations of metastable water

    Journal of Chemical Physics, Vol. 141, Núm. 18

  3. Nucleation free-energy barriers with Hybrid Monte-Carlo/Umbrella Sampling

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 45, pp. 24913-24919

2013

  1. Determining the phase diagram of water from direct coexistence simulations: The phase diagram of the TIP4P/2005 model revisited

    Journal of Chemical Physics, Vol. 139, Núm. 15