• Identificació de xarxes complexes 

      Sala Viñas, Jonàs (Universitat Politècnica de Catalunya, 2007-06-28)
      Projecte Final de Màster Oficial
      Accés obert
      A whole spectrum of networks is generated with a quasistatic growth model. N nodes are located in a 2D lattice and a fixed number of links are added between them. Links are created either preferentially with strenght γ or ...
    • Improving the force matching algorithm: Application to a simple point charge flexible model of water 

      Sala Viñas, Jonàs; Guàrdia Manuel, Elvira; Masia, Marco (2011-09)
      Article
      Accés restringit per política de l'editorial
      In the last years the force matching algorithm has appeared to be a promising method for deriving next generation classical force fields. Recently it has been successfully utilized to parameterize new water models based ...
    • Molecular dynamics simulations of supercritical water confined within a carbon-slit pore 

      Martí Rabassa, Jordi; Sala Viñas, Jonàs; Guàrdia Manuel, Elvira; Gordillo Bargueño, Maria Carmen (2009-03)
      Article
      Accés obert
      We report the results of a series of molecular dynamics simulations of water inside a carbon-slit pore at supercritical conditions. A range of densities corresponding from liquid 0.66 g cm−3 to gas environments 0.08 g ...
    • Specific ion effects in aqueous eletrolyte solutions confined within graphene sheets at the nanometric scale 

      Sala Viñas, Jonàs; Guàrdia Manuel, Elvira; Martí Rabassa, Jordi (2012-08-14)
      Article
      Accés restringit per política de l'editorial
      The underlying mechanisms of specific ion effects on structure and dynamics of aqueous solutions have been long debated. On the other hand, the role of polarization at hydrophobic interfaces when aqueous electrolytes are ...
    • Supercritical water confined in carbon nanochannels 

      Sala Viñas, Jonàs; Guàrdia Manuel, Elvira; Martí Rabassa, Jordi (11th European Meeting on Supercritical Fluids : reactions, materials and natural products processing, 2008-05-04)
      Capítol de llibre
      Accés restringit per política de l'editorial
      We report results of a series of molecular dynamics simulations of water inside a narrow graphite channel at supercritical conditions. A wide range of densities (0.08-0.66 gcm-3) at the supercritical temperature of 673 K ...