Publicacións en colaboración con investigadores/as de Universidad Nacional de Educación a Distancia (7)

2014

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

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

2011

  1. Path integral Monte Carlo simulations for rigid rotors and their application to water

    Molecular Physics, Vol. 109, Núm. 1, pp. 149-168

2010

  1. Can gas hydrate structures be described using classical simulations?

    Journal of Chemical Physics, Vol. 132, Núm. 11

  2. Heat capacity of water: A signature of nuclear quantum effects

    Journal of Chemical Physics

  3. Nuclear quantum effects in water clusters: The role of the molecular flexibility

    Journal of Physical Chemistry B, Vol. 114, Núm. 7, pp. 2484-2492

2009

  1. Quantum contributions in the ice phases: The path to a new empirical model for water-TIP4PQ/2005

    Journal of Chemical Physics, Vol. 131, Núm. 2

  2. Quantum effects on the maximum in density of water as described by the TIP4PQ/2005 model

    Journal of Chemical Physics, Vol. 131, Núm. 12