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  1. TIP4P2005Ice: Simulating water with two molecular states
    PDF
    LF Sedano, C Vega, EG Noya, E Sanz
    J.Chem.Phys. 162 014502 (2025)
  2. The molecular phase diagram of carbon dioxide by molecular simulations of the TraPPE model
    PDF
    D. Gonzalez-Salgado, M.M.Pineiro , C. Vega
    J.Chem.Phys. 163 064504 (2025)
  3. Large scale simulations of a detailed molecular model of seawater: Ionic conductivity and diffusion coefficients of CO2
    PDF
    M. A. Gonzalez, D.Carrasco-Busturia, C.Vega and J.L.F. Abascal
    J.Chem.Phys. 163 034505 (2025)
  4. A new interaction potential for Cl−, Li+, Na+, and Ca+ 2 in methanol solutions using the scaled charges concept
    PDF
    D. Gonzalez-Salgado, C. Vega
    J.Chem.Phys. 162 074502 (2025)
  5. Solid–Liquid Interfacial Free Energy from Computer Simulations: Challenges and Recent Advances
    PDF
    Nicodemo Di Pasquale, Jesús Algaba, Pablo Montero de Hijes, Ignacio Sanchez-Burgos, Andres R Tejedor, Stephen R Yeandel, Felipe J Blas, Ruslan L Davidchack, Jorge R Espinosa, Colin L Freeman, John H Harding, Brian B Laird, Eduardo Sanz, Carlos Vega, Lorenzo Rovigatti
    Chemical Reviews 125 5003 (2025)
  6. Extending the Madrid-2019 force field to the perchlorate anion: role of charge distribution and validation with experiments on Mars-relevant aqueous solutions
    PDF
    S Blazquez, J Troncoso, P La Francesca, P Gallo, MM Conde, C Vega
    J.Mol.Liq. 435 128035 (2025)
  7. Acidifying the Madrid-2019 force field: A rigid model for H3O+ with scaled charges
    PDF
    S Blazquez, M de Lucas, C Vega, F Gámez
    J.Chem.Phys. 162 171101 (2025)
  8. Homogeneous nucleation rate of carbon dioxide hydrate formation under experimental condition from Seeding simulations
    PDF
    IM Zerón, J Algaba, JM Míguez, J Grabowska, S Blazquez, E Sanz,C.Vega, F.J.Blas
    J.Chem.Phys. 162 134708 (2025)