All Stories

  1. Accuracy limit of non-polarizable four-point water models: TIP4P/2005 vs OPC. Should water models reproduce the experimental dielectric constant?

    Article • The Journal of Chemical Physics, July 2024, American Institute of Physics

    Carlos Vega

  2. Madrid-2019 force field: An extension to divalent cations Sr2+ and Ba2+

    Article • The Journal of Chemical Physics, January 2024, American Institute of Physics

    Carlos Vega

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

    Article • The Journal of Chemical Physics, May 2023, American Institute of Physics

    Carlos Vega

  4. Homogeneous nucleation rate of methane hydrate formation under experimental conditions from seeding simulations

    Article • The Journal of Chemical Physics, March 2023, American Institute of Physics

    Carlos Vega

  5. Scaled charges for ions: An improvement but not the final word for modeling electrolytes in water

    Article • The Journal of Chemical Physics, February 2023, American Institute of Physics

    Carlos Vega

  6. Melting points of water models: Current situation

    Article • The Journal of Chemical Physics, June 2022, American Institute of Physics

    Carlos Vega

  7. Maximum in density of electrolyte solutions: Learning about ion–water interactions and testing the Madrid-2019 force field

    Article • The Journal of Chemical Physics, April 2022, American Institute of Physics

    Carlos Vega

  8. 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+

    Article • The Journal of Chemical Physics, January 2022, American Institute of Physics

    Carlos Vega

  9. On the thermodynamics of curved interfaces and the nucleation of hard spheres in a finite system

    Article • The Journal of Chemical Physics, January 2022, American Institute of Physics

    Carlos Vega

  10. The Young–Laplace equation for a solid–liquid interface

    Article • The Journal of Chemical Physics, November 2020, American Institute of Physics

    Carlos Vega

  11. Antifreeze proteins and homogeneous nucleation: On the physical determinants impeding ice crystal growth

    Article • The Journal of Chemical Physics, September 2020, American Institute of Physics

    Carlos Vega

  12. Interfacial free energy of a liquid-solid interface: Its change with curvature

    Article • The Journal of Chemical Physics, October 2019, American Institute of Physics

    Carlos Vega

  13. A force field of Li+, Na+, K+, Mg2+, Ca2+, Cl−, and SO42− in aqueous solution based on the TIP4P/2005 water model and scaled charges for the ions

    Article • The Journal of Chemical Physics, October 2019, American Institute of Physics

    Carlos Vega

  14. Ice growth rate: Temperature dependence and effect of heat dissipation

    Article • The Journal of Chemical Physics, July 2019, American Institute of Physics

    Carlos Vega

  15. Breakdown of the law of rectilinear diameter and related surprises in the liquid-vapor coexistence in systems of patchy particles

    Article • The Journal of Chemical Physics, June 2019, American Institute of Physics

    Carlos Vega

  16. How to accurately model the partition of cholesterol between water and octanol

    Article • The Journal of Chemical Physics, December 2018, American Institute of Physics

    Dr Charlie Wand, Carlos Vega