![Foto de CARLOS](/img/nophoto.png)
CARLOS
VEGA DE LAS HERAS
Catedrático de universidad
Publications (251) CARLOS VEGA DE LAS HERAS publications
2024
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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
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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
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Madrid-2019 force field: An extension to divalent cations Sr2+ and Ba2+
Journal of Chemical Physics
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Solubility of CO2 in salty water: adsorption, interfacial tension and salting out effect
Molecular Physics
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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
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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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Variational umbrella seeding for calculating nucleation barriers
Journal of Chemical Physics, Vol. 160, Núm. 17
2023
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2021 JCP Emerging Investigator Special Collection
Journal of Chemical Physics
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Building a Hofmeister-like series for the maximum in density temperature of aqueous electrolyte solutions
Journal of Molecular Liquids, Vol. 377
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Computation of Electrical Conductivities of Aqueous Electrolyte Solutions: Two Surfaces, One Property
Journal of Chemical Theory and Computation, Vol. 19, Núm. 16, pp. 5380-5393
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Estimation of bubble cavitation rates in a symmetrical Lennard-Jones mixture by NVT seeding simulations
Journal of Chemical Physics, Vol. 158, Núm. 12
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Further extension of the Madrid-2019 force field: Parametrization of nitrate (NO3−) and ammonium (NH4+) ions
Journal of Chemical Physics, Vol. 159, Núm. 22
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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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Homogeneous nucleation rate of methane hydrate formation under experimental conditions from seeding simulations
Journal of Chemical Physics, Vol. 158, Núm. 11
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Minimum in the pressure dependence of the interfacial free energy between ice Ih and water
Journal of Chemical Physics, Vol. 158, Núm. 12
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On the possible locus of the liquid-liquid critical point in real water from studies of supercooled water using the TIP4P/Ice model
Journal of Chemical Physics, Vol. 158, Núm. 20
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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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Solubility of carbon dioxide in water: Some useful results for hydrate nucleation
Journal of Chemical Physics, Vol. 158, Núm. 18
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The water cavitation line as predicted by the TIP4P/2005 model
Journal of Chemical Physics, Vol. 158, Núm. 12
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Three phase equilibria of the methane hydrate in NaCl solutions: A simulation study
Journal of Molecular Liquids, Vol. 383