Publicaciones (355) Publicaciones en las que ha participado algún/a investigador/a

2024

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

    Journal of Chemical Physics, Vol. 161, Núm. 4

  2. Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields

    Journal of Physical Chemistry Letters, Vol. 15, Núm. 16, pp. 4477-4485

  3. Coil-to-globule collapse of active polymers: a Rouse perspective

    Molecular Physics

  4. Discovering dynamic laws from observations: The case of self-propelled, interacting colloids

    Physical Review E, Vol. 109, Núm. 6

  5. Dressing a Nonpolarizable Force Field for OH- in TIP4P/2005 Aqueous Solutions with Corrected Hirshfeld Charges

    Journal of Physical Chemistry Letters, pp. 9411-9418

  6. Effect of substrate mismatch, orientation, and flexibility on heterogeneous ice nucleation

    Journal of Chemical Physics, Vol. 160, Núm. 13

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

    Journal of Chemical Physics

  8. Phase diagram of NaCl–water by computer simulations: performance of non-polarizable force-fields

    Molecular Physics

  9. Re-entrant percolation in active Brownian hard disks

    Soft Matter

  10. Self-Organized States from Solutions of Active Ring Polymers in Bulk and under Confinement

    Journal of Chemical Theory and Computation, Vol. 20, Núm. 4, pp. 1636-1645

  11. Solubility of CO2 in salty water: adsorption, interfacial tension and salting out effect

    Molecular Physics

  12. The temperature of maximum in density of aqueous solutions of nitrate and ammonium salts: Testing the Madrid-2019 force field

    Journal of Chemical Physics, Vol. 161, Núm. 4

  13. Three-phase equilibria of hydrates from computer simulation. I. Finite-size effects in the methane hydrate

    The Journal of chemical physics, Vol. 160, Núm. 16

  14. Three-phase equilibria of hydrates from computer simulation. II. Finite-size effects in the carbon dioxide hydrate

    The Journal of chemical physics, Vol. 160, Núm. 16

  15. Three-phase equilibria of hydrates from computer simulation. III. Effect of dispersive interactions in the methane and carbon dioxide hydrates

    The Journal of chemical physics, Vol. 160, Núm. 16

  16. Variational umbrella seeding for calculating nucleation barriers

    Journal of Chemical Physics, Vol. 160, Núm. 17

  17. Vibrational signatures of dynamic excess proton storage between primary amine and carboxylic acid groups

    Journal of Chemical Physics, Vol. 160, Núm. 9

2023

  1. 2021 JCP Emerging Investigator Special Collection

    Journal of Chemical Physics

  2. A Dynamic Proton Bond: MH+·H2O ⇌ M·H3O+ Interconversion in Loosely Coordinated Environments

    Journal of Physical Chemistry Letters, Vol. 14, Núm. 5, pp. 1294-1300

  3. Building a Hofmeister-like series for the maximum in density temperature of aqueous electrolyte solutions

    Journal of Molecular Liquids, Vol. 377