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  • Macedonian Academy of Sciences and Arts  (4)
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Publisher
  • Macedonian Academy of Sciences and Arts  (4)
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  • 1
    Online Resource
    Online Resource
    Macedonian Academy of Sciences and Arts ; 2017
    In:  Contributions, Section of Natural, Mathematical and Biotechnical Sciences Vol. 34, No. 1-2 ( 2017-03-27)
    In: Contributions, Section of Natural, Mathematical and Biotechnical Sciences, Macedonian Academy of Sciences and Arts, Vol. 34, No. 1-2 ( 2017-03-27)
    Abstract: In this paper results from ab initio simulations of the electronic structure properties of a class of halogenated phenylene ethynylene oligomers (OPE) are presented. These molecular species are investigated because of their suitable properties for application as single-molecule switches in the future emerging molecular electronic devices. Combined Hartree-Fock and Density Functional Theory approach is applied to investigate the biasing field effects on the relevant electronic properties, such as potential energy of the ground states, potential barrier height, localization of frontier molecular orbitals and the HOMO-LUMO gap. Special attention is also paid on the effects of substitution of the hydrogen atoms in the central phenylene ring of basic OPE molecule with halogen atoms. The analyses of the obtained results undoubtedly show that the biasing field has a strong impact on the potential barrier height, transition probabilities and band gap. Halogenation of the central phenylene ring does not have such a strong influence on the aforementioned properties, but it could be a useful way for fine tuning of some of the properties, especially the potential barrier height, enabling control of the torsional stochastic switching, inherent for the studied species.
    Type of Medium: Online Resource
    ISSN: 1857-9949 , 1857-9027
    Language: Unknown
    Publisher: Macedonian Academy of Sciences and Arts
    Publication Date: 2017
    detail.hit.zdb_id: 2829938-3
    Library Location Call Number Volume/Issue/Year Availability
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  • 2
    Online Resource
    Online Resource
    Macedonian Academy of Sciences and Arts ; 2017
    In:  Contributions, Section of Natural, Mathematical and Biotechnical Sciences Vol. 31, No. 1-2 ( 2017-03-09)
    In: Contributions, Section of Natural, Mathematical and Biotechnical Sciences, Macedonian Academy of Sciences and Arts, Vol. 31, No. 1-2 ( 2017-03-09)
    Abstract: A b s t r a c t: This paper proposes to use approximate instead of exact stochastic simulation algorithms for approximate Bayesian parameter inference of dynamical systems in systems biology. It first presents the mathematical framework for the description of systems biology models, especially from the aspect of a stochastic formulation as opposed to deterministic model formulations based on the law of mass action. In contrast to maximum likelihood methods for parameter inference, approximate inference methodsare presented which are based on sampling parameters from a known prior probability distribution, which gradually evolves tward a posterior distribution, through the comparison of simulated data from the model to a given data set of measurements. The paper then discusses the simulation process, where an overview is given of the different exact and approximate methods for stochastic simulation and their improvements that we propose. The exact and approximate simulators are implemented and used within approximate Bayesian parameter inference methods. Our evaluation of these methods on two tasks of parameter estimation in two different models shows that equally good results are obtained much faster when using approximate simulation as compared to using exact simulation.
    Type of Medium: Online Resource
    ISSN: 1857-9949 , 1857-9027
    Language: Unknown
    Publisher: Macedonian Academy of Sciences and Arts
    Publication Date: 2017
    detail.hit.zdb_id: 2829938-3
    Library Location Call Number Volume/Issue/Year Availability
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  • 3
    Online Resource
    Online Resource
    Macedonian Academy of Sciences and Arts ; 2017
    In:  Contributions, Section of Natural, Mathematical and Biotechnical Sciences Vol. 33, No. 1-2 ( 2017-03-15)
    In: Contributions, Section of Natural, Mathematical and Biotechnical Sciences, Macedonian Academy of Sciences and Arts, Vol. 33, No. 1-2 ( 2017-03-15)
    Abstract: A b s t r a c t: Following our recent work on the topology independent SIS spreading model [25, 26], in this article we analyze a SIRS type of a spreading processes, taking place on complex networks characterized by a special form of contact dynamics, for which we use the term "acquisition exclusivity". We show that, identically as for the SIS type process, for the studied set-up, in circumstances where statistical independence of joint events may be assumed, analytical solution for the probabilities that each node is in a certain status in stationary regime may be found. Furthermore, the obtained results indicate that the SIRS process, under the analyzed circumstances is topology independent.
    Type of Medium: Online Resource
    ISSN: 1857-9949 , 1857-9027
    Language: Unknown
    Publisher: Macedonian Academy of Sciences and Arts
    Publication Date: 2017
    detail.hit.zdb_id: 2829938-3
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 4
    Online Resource
    Online Resource
    Macedonian Academy of Sciences and Arts ; 2017
    In:  Contributions, Section of Natural, Mathematical and Biotechnical Sciences Vol. 33, No. 1-2 ( 2017-03-15)
    In: Contributions, Section of Natural, Mathematical and Biotechnical Sciences, Macedonian Academy of Sciences and Arts, Vol. 33, No. 1-2 ( 2017-03-15)
    Abstract: A b s t r a c t: In this article we propose a model for the spread of two types of information in networks. The model is a natural generalization of the epidemic susceptible-infective-susceptible(SIS) model. The two information types have different attractiveness, which affects the nodes' decision on which information type to adopt when both arrive at a node in the same time step. At difference with results from other authors, the model shows simultaneous existence of the two information types in the stable state. We give approximations for the average number of nodes informed with each information type at the end of the spreading process when nodes have high degree.
    Type of Medium: Online Resource
    ISSN: 1857-9949 , 1857-9027
    Language: Unknown
    Publisher: Macedonian Academy of Sciences and Arts
    Publication Date: 2017
    detail.hit.zdb_id: 2829938-3
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
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