Publications (181)

¹ Publications considered as the group’s output.

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2026

  1. Determination of the CO2 hydrate three-phase coexistence curve via molecular dynamics simulation

    The Journal of chemical physics, Vol. 164, Núm. 17

  2. Observational study of double superoutbursts in long-orbital-period AM CVn stars

    Publications of the Astronomical Society of Japan, Vol. 78, Núm. 1, pp. 199-219

  3. On the melting points of the TIP4P/2005 and TIP4P/Ice water models using particle mesh Ewald for dispersive interactions

    Journal of Chemical Physics, Vol. 164, Núm. 17

  4. Unveiling the methane hydrate–water interfacial free energy through direct molecular simulation at coexistence conditions

    Journal of Colloid and Interface Science, Vol. 705

2025

  1. Dissociation Line and Driving Force for Nucleation of the Multiple Occupied Hydrogen Hydrate from Computer Simulation

    Energy and Fuels, Vol. 39, Núm. 31, pp. 15184-15197

  2. Homogeneous nucleation rate of carbon dioxide hydrate formation under experimental condition from Seeding simulations

    Journal of Chemical Physics, Vol. 162, Núm. 13

  3. Monitoring Hydroquinone Clathrates in Molecular Simulation Using Local Bond Order Parameters

    Energy and Fuels, Vol. 39, Núm. 21, pp. 9884-9892

  4. On the interfacial properties of hydroquinone: Realistic and coarse-grained molecular models from computer simulation

    Journal of Molecular Liquids, Vol. 428

  5. Prediction of the three-phase coexistence line of the ethane hydrate from molecular simulation

    Journal of Chemical Physics, Vol. 163, Núm. 18

  6. Solid-Liquid Interfacial Free Energy from Computer Simulations: Challenges and Recent Advances

    Chemical Reviews, Vol. 125, Núm. 10, pp. 5003-5053

  7. Solubility and dissociation of ionic liquids in epoxides and cyclic carbonate by molecular dynamics simulation

    Journal of Molecular Liquids, Vol. 426

  8. Three-Phase Equilibria of CO2 Hydrate from Computer Simulation in the Presence of NaCl

    Energy and Fuels, Vol. 39, Núm. 11, pp. 5522-5533

  9. Three-Phase Equilibria of CO2 Hydrate from Computer Simulation in the Presence of NaCl

    Energy and Fuels

  10. Unveiling the CO2 hydrate phase diagram from computer simulation: Locating the hydrate-liquid-vapor coexistence and its upper quadruple point

    The Journal of chemical physics, Vol. 163, Núm. 24

2024

  1. Dissociation line and driving force for nucleation of the nitrogen hydrate from computer simulation. II. Effect of multiple occupancy

    Journal of Chemical Physics, Vol. 161, Núm. 5

  2. Prediction of the univariant two-phase coexistence line of the tetrahydrofuran hydrate from computer simulation

    Journal of Chemical Physics, Vol. 160, Núm. 16

  3. Rotationally invariant local bond order parameters for accurate determination of hydrate structures

    Molecular Physics, Vol. 122, Núm. 21-22

  4. Simulation of the THF hydrate-water interfacial free energy from computer simulation

    Journal of Chemical Physics, Vol. 161, Núm. 6

  5. 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

  6. 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