Simulación por ordenador y modelado mecanoestadístico de líquidos y sólidos
Publicaciones (342) Publicaciones en las que ha participado algún/a investigador/a
2024
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Madrid-2019 force field: An extension to divalent cations Sr2+ and Ba2+
Journal of Chemical Physics
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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
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Solubility of CO2 in salty water: adsorption, interfacial tension and salting out effect
Molecular Physics
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Vibrational signatures of dynamic excess proton storage between primary amine and carboxylic acid groups
Journal of Chemical Physics, Vol. 160, Núm. 9
2023
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2021 JCP Emerging Investigator Special Collection
Journal of Chemical Physics
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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
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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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Correlated proton dynamics in hydrogen bonding networks: the benchmark case of 3-hydroxyglutaric acid
Physical Chemistry Chemical Physics, Vol. 26, Núm. 1, pp. 198-208
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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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Field-Pulse-Induced Annealing of 2D Colloidal Polycrystals
Nanomaterials, Vol. 13, Núm. 3
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Fluids meet solids
Journal of Chemical Physics
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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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Hot Brownian Motion of Thermoresponsive Microgels in Optical Tweezers Shows Discontinuous Volume Phase Transition and Bistability
Small, Vol. 19, Núm. 34
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Interaction between acetylsalicylic acid and a cationic amphiphile model: An experimental approach using surface techniques
Chemical Physics Letters, Vol. 819
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Light-to-Heat Conversion of Optically Trapped Hot Brownian Particles
ACS Nano, Vol. 17, Núm. 24, pp. 24961-24971
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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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Magnetic Colloidal Currents Guided on Self-Assembled Colloidal Tracks
Advanced Functional Materials, Vol. 33, Núm. 52