CHANTAL VALERIANI-rekin lankidetzan egindako argitalpenak (20)

2020

  1. Seeding approach to nucleation in the NVT ensemble: The case of bubble cavitation in overstretched Lennard Jones fluids

    Physical review. E, Vol. 101, Núm. 2-1, pp. 022611

2019

  1. Heterogeneous: Versus homogeneous crystal nucleation of hard spheres

    Soft Matter, Vol. 15, Núm. 47, pp. 9625-9631

  2. Ice Ih: Vs. ice III along the homogeneous nucleation line

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 10, pp. 5655-5660

  3. Seeding approach to bubble nucleation in superheated Lennard-Jones fluids

    Physical Review E, Vol. 100, Núm. 5

2018

  1. A simulation study of homogeneous ice nucleation in supercooled salty water

    Journal of Chemical Physics, Vol. 148, Núm. 22

  2. 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

2017

  1. Role of Salt, Pressure, and Water Activity on Homogeneous Ice Nucleation

    Journal of Physical Chemistry Letters, Vol. 8, Núm. 18, pp. 4486-4491

2016

  1. Interfacial Free Energy as the Key to the Pressure-Induced Deceleration of Ice Nucleation

    Physical Review Letters, Vol. 117, Núm. 13

  2. Lattice mold technique for the calculation of crystal nucleation rates

    Faraday Discussions, Vol. 195, pp. 569-582

  3. On the time required to freeze water

    Journal of Chemical Physics, Vol. 145, Núm. 21

  4. Seeding approach to crystal nucleation

    Journal of Chemical Physics, Vol. 144, Núm. 3

2015

  1. Competition between ices Ih and Ic in homogeneous water freezing

    Journal of Chemical Physics, Vol. 143, Núm. 13

  2. The crystal-fluid interfacial free energy and nucleation rate of NaCl from different simulation methods

    Journal of Chemical Physics, Vol. 142, Núm. 19

2014

  1. Homogeneous ice nucleation evaluated for several water models

    Journal of Chemical Physics, Vol. 141, Núm. 18

  2. Nucleation free-energy barriers with Hybrid Monte-Carlo/Umbrella Sampling

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 45, pp. 24913-24919

2013

  1. Free energy calculations for molecular solids using GROMACS

    Journal of Chemical Physics, Vol. 139, Núm. 3

  2. Homogeneous ice nucleation at moderate supercooling from molecular simulation

    Journal of the American Chemical Society, Vol. 135, Núm. 40, pp. 15008-15017

  3. On fluid-solid direct coexistence simulations: The pseudo-hard sphere model

    Journal of Chemical Physics, Vol. 139, Núm. 14

2012

  1. Calculation of the melting point of alkali halides by means of computer simulations

    Journal of Chemical Physics, Vol. 137, Núm. 10

  2. Note: Free energy calculations for atomic solids through the Einstein crystal/molecule methodology using GROMACS and LAMMPS

    Journal of Chemical Physics, Vol. 137, Núm. 14