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  1. On the contributions of Luis F. Rull and José Luis F. Abascal to the development of the school of statistical mechanics in Spain
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    F. Bresme, E.Sanz, E. A. Muller, J.M.Romero-Enrique and C.Vega
    Mol.Phys. 122 e2431370 (2024)
  2. On the compatibility of the Madrid-2019 force field for electrolytes with the TIP4P/Ice water model
    PDF
    S. Blazquez, L. F. Sedano , C. Vega
    J.Chem.Phys. 161 224502 (2024)
  3. Impact of sulfate salts on water structure: insights from molecular dynamics
    PDF
    C. P. Lamas, C. Vega, P. Gallo
    Mol.Phys. 122 e2406260 (2024)
  4. Statistical mechanics of crystal nuclei of hard spheres
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    M de Jager, C Vega, P Montero de Hijes, F Smallenburg, L Filion
    J.Chem.Phys. 161 184501 (2024)
  5. Predictions of the interfacial free energy along the coexistence line from single-state calculations
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    I. Sanchez-Burgos, P. Montero de Hijes, E. Sanz, C. Vega, J.R. Espinosa
    J.Chem.Phys. 161 204701 (2024)
  6. Isothermal compressibility and water self-diffusion coefficient in supercooled salt aqueous solutions using the Madrid-2019 model
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    L. F. Sedano, C. Vega , E. G. Noya
    Mol.Phys. 122 e2418311 (2024)
  7. In memoriam: Stefan Sokołowski
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    O Pizio, A Patrykiejew, C Vega, L Pusztai, J Ilnytskyi, T Patsahan, , A Trokhymchuk
    Condensed Matter Physics 27 37001 (2024)
  8. Dressing a Nonpolarizable Force Field for OH– in TIP4P/2005 Aqueous Solutions with Corrected Hirshfeld Charges
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    M de Lucas, S Blazquez, J Troncoso, C Vega, F Gamez
    The Journal of Physical Chemistry Letters 15 9411 (2024)
  9. The temperature of maximum in density of aqueous solutions of nitrate and ammonium salts: Testing the Madrid-2019 force field
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    S Blazquez, M de Lucas, C Vega, J Troncoso, F Gamez
    J. Chem. Phys. 161 046103 (2024)
  10. Accuracy limit of non-polarizable four-point water models: TIP4P/2005 vs OPC. Should water models reproduce the experimental dielectric constant?
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    L. F. Sedano, S. Blazquez and C. Vega
    J. Chem. Phys. 161 044505 (2024)
  11. Variational umbrella seeding for calculating nucleation barriers
    PDF
    W Gispen, JR Espinosa, E Sanz, C Vega, M Dijkstra
    J. Chem. Phys. 160 174501 (2024)
  12. Three-phase equilibria of hydrates from computer simulation. I. Finite-size effects in the methane hydrate
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    S Blazquez, J Algaba, JM Míguez, C Vega, FJ Blas, MM Conde
    J. Chem. Phys. 160 164721 (2024)
  13. Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields
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    P Habibi, HM Polat, S Blazquez, C Vega, P Dey, TJH Vlugt, OA Moultos
    The Journal of Physical Chemistry Letters 15 4477 (2024)
  14. Mold: a LAMMPS package to compute interfacial free energies and nucleation rates
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    A.R. Tejedor, I. Sanchez-Burgos, E. Sanz, C. Vega, F.J. Blas, R. L. Davidchack, N. Di Pasquale, J. Ramirez, J. R. Espinosa
    Journal of Open Source Software 9 6083 (2024)
  15. Madrid-2019 force field: An extension to divalent cations Sr2+ and Ba2+
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    S. Blazquez, I.C. Bourg, C. Vega
    J. Chem. Phyhs. 160 046101 (2024)
  16. Solubility of CO2 in salty water: adsorption, interfacial tension and salting out effect
    PDF
    S. Blazquez, M.M. Conde, C. Vega
    Mol.Phys. 122 e2306242 (2024)