Recent Submissions

  • Fast and effective pseudo transfer entropy for bivariate data-driven causal inference 

    Silini, Riccardo; Masoller Alonso, Cristina (Nature, 2021-04-19)
    Article
    Open Access
    Identifying, from time series analysis, reliable indicators of causal relationships is essential for many disciplines. Main challenges are distinguishing correlation from causality and discriminating between direct and ...
  • Study on asymmetry concentration of mixed oil in products pipeline 

    Wang, Yi; Wang, Baoying; Liu, Yang; Liang, Yongtu (2020-12-03)
    Article
    Open Access
    Long-distance pipelines transporting multiple product oils such as gasoline, diesel and jet fuel, are important facilities for transporting fossil energy. One major concern in operation is the energy consumption of the ...
  • Vortex induced vibrations of a pivoted finite height cylinder at low Reynolds number 

    Cajas García, Juan Carlos; Pastrana Maldonado, Daniel; Rodríguez Pérez, Ivette María; Lehmkuhl Barba, Oriol; Houzeaux, Guillaume; Vázquez, Mariano; Treviño Treviño, Cesar (2021-06-03)
    Article
    Open Access
    The vortex induced vibrations (VIVs) of a pivoted cylinder with finite height have been numerically investigated. A mathematical model is introduced and described, and the resulting equations are numerically solved for low ...
  • Interaction of a dislocation pileup with {332} tilt grain boundary in bcc metals studied by MD simulations 

    Kvashin, Nikolai; Anento Moreno, Napoleón; Terentyev, Dimitry; Bakaev, A.; Serra Tort, Ana María (American Physical Society (APS), 2021-01)
    Article
    Open Access
    The sustainability and capacity of macroscopic deformation by polycrystalline metals and metallic alloys is controlled by the propagation of dislocation-mediated slip through grains. In this paper, the interaction of a ...
  • Fatty-acid oxygenation by fungal peroxygenases: From computational simulations to preparative regio- and stereoselective epoxidation 

    Municoy Terol, Martí; González Benjumea, Alejandro; Carro Aramburu, Juan; Aranda Oliden, Carmen; Linde López, Dolores; Renau Mínguez, Chantal; Ullrich, René; Hofrichter, Martin; Guallar Tasies, Victor; Gutiérrez Suárez, Ana; Martínez Ferrer, Angel Tomás (2020-11-10)
    Article
    Open Access
    Epoxidation of unsaturated fatty acids by unspecific peroxygenases (UPOs) of the best-known long-UPO subfamily, including the Agrocybe aegerita (AaeUPO) and Coprinopsis cinerea enzymes, is reported here. To understand the ...
  • aquaPELE: A Monte Carlo-based algorithm to sample the effects of buried water molecules in proteins 

    Municoy Terol, Martí; Roda Llordes, Sergi; Soler Viladrich, Daniel; Soutullo, Alberto; Guallar Tasies, Victor (2020-11-17)
    Article
    Restricted access - publisher's policy
    Water is frequently found inside proteins, carrying out important roles in catalytic reactions or molecular recognition tasks. Therefore, computational models that aim to study protein–ligand interactions usually have to ...
  • A novel expert opinion-based approach to compute estimations of flood damage to property in dense urban environments. Barcelona case study 

    Martínez Gomariz, Eduardo; Forero Ortiz, Edwar Andres; Russo, Beniamino; Locatelli, Luca; Guerrero Hidalga, María; Yubero, Daniel; Castan, Salvador (Elsevier, 2021-07)
    Article
    Restricted access - publisher's policy
    A certain acceptable level of risk in a major drainage system must be established since urban areas cannot be made entirely free from pluvial flooding. Among the diversity of flood risks in urban areas, direct damage to ...
  • Giant and reversible barocaloric effect in trinuclear spin-crossover complex Fe3(bntrz)6(tcnset)6 

    Romanini, Michela; Lloveras Muntané, Pol Marcel; Barrio Casado, María del; Aznar Luque, Araceli; Gracia Condal, Adrià; Emre, Baris; Tamarit Mur, José Luis; Planes Vila, Antoni; Manosa, L (2021-03)
    Article
    Open Access
    A giant barocaloric effect (BCE) in a molecular material Fe3(bntrz)6(tcnset)6 (FBT) is reported, where bntrz = 4-(benzyl)-1,2,4-triazole and tcnset = 1,1,3,3-tetracyano-2-thioethylepropenide. The crystal structure of FBT ...
  • Reversible self-replication of spatiotemporal Kerr cavity patterns 

    Benadouda Ivars, Salim; Kartashov, Yaroslav V.; Torner Sabata, Lluís; Conejero Casares, José Alberto; Milian Enrique, Carles (American Institute of Physics (AIP), 2021-02-12)
    Article
    Open Access
    We uncover a novel and robust phenomenon that causes the gradual self-replication of spatiotemporal Kerr cavity patterns in cylindrical microresonators. These patterns are inherently synchronized multifrequency combs. Under ...
  • Self-gravitating barotropic equilibrium configurations of rotating bodies with smoothed particle hydrodynamics 

    García Senz, Domingo; Cabezón Gómez, Rubén Martín; Blanco Iglesias, José Miguel; Lorén Aguilar, Pablo (EDP Sciences, 2020-05-14)
    Article
    Open Access
  • Comparative analysis of geolocation information through mobile-devices under different COVID-19 mobility restriction patterns in Spain 

    Pérez Arnal, Raquel; Conesa Ortega, David; Álvarez Napagao, Sergio; Suzumura, Toyotaro; Català Sabaté, Martí; Álvarez Lacalle, Enrique; Garcia Gasulla, Dario (Multidisciplinary Digital Publishing Institute (MDPI), 2021-02-13)
    Article
    Open Access
    The COVID-19 pandemic is changing the world in unprecedented and unpredictable ways. Human mobility, being the greatest facilitator for the spread of the virus, is at the epicenter of this change. In order to study mobility ...
  • Empirical model for short-time prediction of COVID-19 spreading 

    Català Sabaté, Martí; Alonso Muñoz, Sergio; Álvarez Lacalle, Enrique; López Codina, Daniel; Cardona Iglesias, Pere Joan; Prats Soler, Clara (2020-12-09)
    Article
    Open Access
    The appearance and fast spreading of Covid-19 took the international community by surprise. Collaboration between researchers, public health workers, and politicians has been established to deal with the epidemic. One ...

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