SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

 

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).

Pàgina web del grup de recerca

Recent Submissions

  • The origin of the period-2T/7 quasi-breathing in disk-shaped Gross-Pitaevskii breathers 

    Torrents Monegal, Jordi; Dunjko, Vedran; Gonchenko5, Marina; Astrakharchik, Grigori; Olshanii, Maxim (2022-03-14)
    Article
    Open Access
    We address the origins of the quasi-periodic breathing observed in [Phys. Rev.\ X vol. 9, 021035 (2019)] in disk-shaped harmonically trapped two-dimensional Bose condensates, where the quasi-period Tquasi-breathing~~2T/7 ...

  • Scale-free behavioral cascades and effective leadership in schooling fish 

    Múgica Gallart, Julia; Torrents Monegal, Jordi; Cristin, Javier; Puy Contreras, Andreu; Miguel Lopez, M. Del Carmen; Pastor Satorras, Romualdo (Nature, 2022-06-24)
    Article
    Open Access
    Behavioral contagion and the presence of behavioral cascades are natural features in groups of animals showing collective motion, such as schooling fish or grazing herbivores. Here we study empirical behavioral cascades ...

  • Modeling and simulation of lipid membranes 

    Martí Rabassa, Jordi; Calero, Carles (Multidisciplinary Digital Publishing Institute (MDPI), 2022-08-03)
    Book
    Open Access

  • Van der Waals five-body size-energy universality 

    Stipanovic, P.; Vranješ Markic, Leandra; Boronat Medico, Jordi (Nature, 2022-12-01)
    Article
    Open Access
    A universal relationship between scaled size and scaled energy is explored in five-body self-bound quantum systems. The ground-state binding energy and structure properties are obtained by means of the diffusion Monte Carlo ...

  • Supersolidity in the second layer of para-H2 adsorbed on graphite 

    Gordillo Bargueño, Maria Carmen; Boronat Medico, Jordi (American Physical Society (APS), 2022-03-03)
    Article
    Restricted access - publisher's policy
    We calculated the phase diagram of the second layer of para-H2 adsorbed on graphite using quantum Monte Carlo methods. The second layer shows an incommensurate triangular crystal structure. By using a symmetric wave function, ...

  • Modeling and simulation of lipid membranes 

    Martí Rabassa, Jordi; Calero, Carles (Multidisciplinary Digital Publishing Institute (MDPI), 2022-05-25)
    Article
    Open Access
    Cell membranes separate the interior of cells and the exterior environment, providing protection, controlling the passage of substances, and governing the interaction with other biomolecules and signalling processes. They ...

  • Exactly solvable system of one-dimensional trapped bosons with short- and long-range interactions 

    Astrakharchik, Grigori (American Institute of Physics (AIP), 2020-11-25)
    Article
    Open Access
    We introduce a model of trapped bosons with contact interactions as well as Coulomb repulsion or gravitational attraction in one spatial dimension. We find the exact ground-state energy and many-body wave function. The ...

  • Coordination and growth: the Stag Hunt game on evolutionary networks 

    Starnini, Michele; Poncela, Julia; moreno, yamir; sanchez, angel (Institute of Physics (IOP), 2011-05-06)
    Article
    Open Access
    Recently, the study of evolutionary games on networks has attracted great interest, focused mainly on the problem of the emergence of cooperation. A well studied framework for this problem is the Prisoner’s Dilemma game ...

  • The interconnected wealth of nations: shock propagation on global trade-investment multiplex networks 

    Starnini, Michele; Boguña Espinal, Marian; Serrano, M.Angels (Nature, 2019-09-11)
    Article
    Open Access
    The increasing integration of world economies, which organize in complex multilayer networks of interactions, is one of the critical factors for the global propagation of economic crises. We adopt the network science ...

  • Collective response to media coverage of the COVID-19 pandemic on Reddit and Wikipedia: mixed-methods analysis 

    Gozzi, Nicolò; Starnini, Michele; Panisson, André; Paolotti, Daniela; Perra, Nicola (JMIR, 2020-10-12)
    Article
    Open Access
    Background: The exposure and consumption of information during epidemic outbreaks may alter people’s risk perception and trigger behavioral changes, which can ultimately affect the evolution of the disease. It is thus of ...

  • Role of oxygen vacancy ordering and channel formation in tuning intercalation pseudocapacitance in Mo single-ion-implanted CeO2–x nanoflakes 

    Zheng, Xiaoran; Mofarah, Sajjad S.; Cen, Alan; Cazorla Silva, Claudio; Haque, Enamul; Chen, Ewing Y.; Atanacio, Armand J.; Manohar, Madhura; Vutukuri, Corey; Abraham, Joel Luke; Koshy, Pramod; Sorrell, Charles C. (2021-12-22)
    Article
    Open Access
    Metal oxide pseudocapacitors are limited by low electrical and ionic conductivities. The present work integrates defect engineering and architectural design to exhibit, for the first time, intercalation pseudocapacitance ...

  • Flocking-enhanced social contagion 

    Levis, Demian; Díaz Guilera, Albert; Pagonabarraga Mora, Ignacio; Starnini, Michele (American Physical Society, 2020-09-01)
    Article
    Open Access
    Background: Emergency Medical Services (EMS) plays a fundamental role in providing good quality healthcare services to citizens, as they are the first responders in distressing situations. Few studies have used available ...

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