L'objectiu general de les activitats investigadores del Grup és l'estudi de les propietats microscòpiques de líquids i sòlids mitjançant la simulació per ordinador. Aquesta metodologia permet aprofundir en la comprensió dels fonaments de les propietats de la matèria al nivell atòmic. Utilitzem la dinàmica molecular i tècniques de Montecarlo. Les línies de treball actualment en curs es poden agrupar de la manera següent: Dissolucions iòniques: efectes del dissolvent sobre les interaccions entre ions i en els processos de bescanvi iònic. Dinàmica de solvatació. Electròlits, biomolècules en dissolució. Líquids iònics: sals foses. Factors d'estructura. Propietats de transport no electrònic. Influència de la polaritzabilitat induïda dels ions. Líquids moleculars: aigua, alcohols, amides... Influència dels ponts d'hidrogen en l'estructura i les propietats dinàmiques. Polímers. Aigua i alcohols en condicions extremes. Aigua confinada. Compostos organoclorats en fase líquida. Simulació semiquàntica de líquids moleculars. Líquids quàntics: estudi de líquids, gasos i sòlids quàntics a molt baixa temperatura mitjançant mètodes de Montecarlo quàntics. Hidrogen, heli i gasos alcalins en estat condensat de Bose-Einstein. Sistemes homogenis (en tres o menys dimensions) i sistemes inhomogenis (capes, gotes).

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Enviaments recents

  • Andreev-Bashkin effect in superfluid cold gases mixtures 

    Nespolo, Jacopo; Astrakharchik, Grigori; Recati, Alessio (2017-12-05)
    Article
    Accés obert
    © 2017 The Author(s). Published by IOP Publishing Ltd on behalf of Deutsche Physikalische Gesellschaft. We study a mixture of two superfluids with density-density and current-current (Andreev-Bashkin) interspecies interactions. ...
  • Observation of dynamic atom-atom correlation in liquid helium in real space 

    Dmowski, Wojtek; Diallo, Souleymane Omar; Lokshin, Konstantin A.; Ehlers, Georg; Ferré Porta, Guillem; Boronat Medico, Jordi; Egami, Takeshi (2017-05-04)
    Article
    Accés obert
    © The Author(s) 2017. Liquid 4He becomes superfluid and flows without resistance below temperature 2.17 K. Superfluidity has been a subject of intense studies and notable advances were made in elucidating the phenomenon ...
  • Evolutionary dynamics of the cryptocurrency market 

    ElBahrawy, Abeer; Alessandretti, Laura; Kandler, Anne; Pastor Satorras, Romualdo; Baronchelli, Andrea (2017-11-15)
    Article
    Accés obert
    The cryptocurrency market surpassed the barrier of $100 billion market capitalization in June 2017, after months of steady growth. Despite its increasing relevance in the financial world, a comprehensive analysis of the ...
  • Effects of temporal correlations in social multiplex networks 

    Starnini, Michele; Baronchelli, Andrea; Pastor Satorras, Romualdo (Macmillan Publishers, 2017-08-17)
    Article
    Accés obert
    Multi-layered networks represent a major advance in the description of natural complex systems, and their study has shed light on new physical phenomena. Despite its importance, however, the role of the temporal dimension ...
  • Dipolar Bose Supersolid Stripes 

    Bombín Escudero, Raul; Boronat Medico, Jordi; Mazzanti Castrillejo, Fernando Pablo (2017-12-20)
    Article
    Accés obert
    We study the superfluid properties of a system of fully polarized dipolar bosons moving in the XY plane. We focus on the general case where the polarization field forms an arbitrary angle a with respect to the Z axis, ...
  • Field theory for a reaction-diffusion model of quasispecies dynamics 

    Pastor Satorras, Romualdo; Solé, Ricard Vicenç (2001-10-24)
    Article
    Accés obert
    RNA viruses are known to replicate with extremely high mutation rates. These rates are actually close to the so-called error threshold. This threshold is in fact a critical point beyond which genetic information is lost ...
  • Bose polarons in ultracold atoms in one dimension: beyond the Fröhlich paradigm 

    Grusdt, Fabian; Astrakharchik, Grigori; Demler, Eugene (2017-10-25)
    Article
    Accés obert
    Mobile impurity atoms immersed in Bose–Einstein condensates provide a new platform for exploring Bose polarons. Recent experimental advances in the field of ultracold atoms make it possible to realize such systems with ...
  • Relating topological determinants of complex networks to their spectral properties: structural and dynamical effects 

    Castellano, Claudio; Pastor Satorras, Romualdo (2017-10-27)
    Article
    Accés obert
    The largest eigenvalue of a network’s adjacency matrix and its associated principal eigenvector are key elements for determining the topological structure and the properties of dynamical processes mediated by it. We present ...
  • Edge dislocations as sinks for sub-nanometric radiation induced defects in a-iron 

    Anento Moreno, Napoleón; Malerba, L.; Serra Tort, Ana María (Elsevier, 2018-01)
    Article
    Accés restringit per política de l'editorial
    The role of edge dislocations as sinks for small radiation induced defects in bcc-Fe is investigated by means of atomistic computer simulation. In this work we investigate by Molecular Statics (T = 0K) the interaction ...
  • Free-energy surfaces of ionic adsorption in cholesterol-free and cholesterol-rich phospholipid membranes 

    Martí Rabassa, Jordi (2017-10-23)
    Article
    Accés restringit per política de l'editorial
    Free energy surfaces associated to the adsorption of metal cations ((Formula presented.), (Formula presented.), (Formula presented.), and (Formula presented.)) in biological environments have been computed by metadynamics ...
  • Composite boson description of a low-density gas of excitons 

    Golomedov, A. E.; Lozovik, Yu. E.; Astrakharchik, Grigori; Boronat Medico, Jordi (2017-10-13)
    Article
    Accés restringit per política de l'editorial
    Ground-state properties of a fermionic Coulomb gas are calculated using the fixed-node diffusion Monte Carlo method. The validity of the composite boson description is tested for different densities. We extract the ...
  • Grain boundary mediated plasticity: the role of grain boundary atomic structure and thermal activation 

    Terentyev, Dimitry; Bakaev, A.; Serra Tort, Ana María; Pavia, F.; Baker, K. L.; Anento Moreno, Napoleón (2018-03)
    Article
    Accés restringit per política de l'editorial
    The interaction of dislocation pile-ups with several tilt grain boundaries (GB) is studied in copper by using a hybrid continuum-atomistic approach. The effects of temperature, pile-up intensity and GB structure on absorption ...

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