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Fast and effective pseudo transfer entropy for bivariate data-driven causal inference
(Nature, 2021-04-19)
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Open AccessIdentifying, 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
(2020-12-03)
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Open AccessLong-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
(2021-06-03)
Article
Open AccessThe 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
(American Physical Society (APS), 2021-01)
Article
Open AccessThe 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
(2020-11-10)
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Open AccessEpoxidation 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
(2020-11-17)
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Restricted access - publisher's policyWater 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
(Elsevier, 2021-07)
Article
Restricted access - publisher's policyA 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
(2021-03)
Article
Open AccessA 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
(American Institute of Physics (AIP), 2021-02-12)
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Open AccessWe 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
(EDP Sciences, 2020-05-14)
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Comparative analysis of geolocation information through mobile-devices under different COVID-19 mobility restriction patterns in Spain
(Multidisciplinary Digital Publishing Institute (MDPI), 2021-02-13)
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Open AccessThe 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
(2020-12-09)
Article
Open AccessThe 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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