Simulación por ordenador y modelado mecanoestadístico de líquidos y sólidos
Universidad Politécnica de Madrid
Madrid, EspañaPublicacions en col·laboració amb investigadors/es de Universidad Politécnica de Madrid (25)
2024
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Effect of substrate mismatch, orientation, and flexibility on heterogeneous ice nucleation
Journal of Chemical Physics, Vol. 160, Núm. 13
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Solubility of CO2 in salty water: adsorption, interfacial tension and salting out effect
Molecular Physics
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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
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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
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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
2023
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Growth rate of CO2 and CH4 hydrates by means of molecular dynamics simulations
The Journal of chemical physics, Vol. 159, Núm. 6
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Location and Concentration of Aromatic-Rich Segments Dictates the Percolating Inter-Molecular Network and Viscoelastic Properties of Ageing Condensates
Advanced Science, Vol. 10, Núm. 25
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Scaled charges for ions: An improvement but not the final word for modeling electrolytes in water
Journal of Chemical Physics, Vol. 158, Núm. 5
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Three phase equilibria of the methane hydrate in NaCl solutions: A simulation study
Journal of Molecular Liquids, Vol. 383
2022
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Alternating one-phase and two-phase crystallization mechanisms in octahedral patchy colloids
The Journal of chemical physics, Vol. 157, Núm. 13, pp. 134501
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Dynamical anomalies and structural features of active Brownian particles characterized by two repulsive length scales
The Journal of chemical physics, Vol. 156, Núm. 16, pp. 164502
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Homogeneous ice nucleation rates for mW and TIP4P/ICE models through Lattice Mold calculations
Journal of Chemical Physics, Vol. 157, Núm. 9
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Intrinsic structure perspective for MIPS interfaces in two-dimensional systems of active Brownian particles
Soft Matter, Vol. 18, Núm. 13
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Phase diagram of the NaCl-water system from computer simulations
Journal of Chemical Physics, Vol. 156, Núm. 6
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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+
Journal of Chemical Physics, Vol. 156, Núm. 4
2021
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Homogeneous nucleation of NaCl in supersaturated solutions
Physical Chemistry Chemical Physics, Vol. 23, Núm. 47, pp. 26843-26852
2020
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Scaled charges at work: Salting out and interfacial tension of methane with electrolyte solutions from computer simulations
Fluid Phase Equilibria, Vol. 513
2019
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Ice Ih: Vs. ice III along the homogeneous nucleation line
Physical Chemistry Chemical Physics, Vol. 21, Núm. 10, pp. 5655-5660
2018
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A simulation study of homogeneous ice nucleation in supercooled salty water
Journal of Chemical Physics, Vol. 148, Núm. 22
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Phase boundaries, nucleation rates and speed of crystal growth of the water-to-ice transition under an electric field: A simulation study
Journal of Physics Condensed Matter, Vol. 30, Núm. 17