1,720,984 research outputs found
Calcolo ab-initio delle intensità di assorbimento IR e VCD in molecole contenenti 3,4 e 5 atomi pesanti
No full textComputational Studies of the Structure and of the Proton Transport Phenomena in Systems Derived from Barium Cerate Perovskite Structure
No full textThe final task of the whole research project is the design of new ceramic materials for protonic conduction in the range of temperature 350-750 °C. To this aim, it was planned to deepen the information on the systems obtained by doping the Ce site in the BaCeO3 perovskite matrices. In these compounds, cerium has been substituted by trivalent elements (Y, In), thus creating – to fulfill charge neutrality – oxygen vacancies that could be filled by hydroxyls groups. In this way protons have been introduced in the structure. These materials are currently investigated by both experimental and computational approaches to integrate framework structure and proton transport phenomena analyses.
Due to the characteristics of the studied materials, Hartree-Fock and DFT approaches have mainly been investigated. The computational methods and the choice of the models and protocols have been tuned according to the machines capabilities, balancing the reliability of the results against the computational time. Geometry calculations have been performed on framed (by hydrogen cut-off atoms) large-material-fragments and/or on small-material-fragments by mimicking experimental structures and proton transfer mechanisms
Calcolo ab-initio della struttura e delle proprietà elettriche e magnetiche degli anelli di atomi di carbonio C6, C10, C14 e C18
No full textContribution of parallel NSGA-II in optimal design of water distribution networks
No full textOptimization of water distribution networks is a NP-hard problem that researchers have tried to deal with using different formulations and algorithmic approaches. Among these, multi-objective heuristic algorithms are interesting because of their capacity for dealing with separate objectives that allow us to choose a posteriori the best compromise, but one of their main drawbacks is the long time required to obtain good solutions. Parallel processing is the most promising way to reduce the computing time and can make the convergence to adequate solutions faster. This paper intends to investigate the possibility of improving the efficacy and efficiency of an NSGA-II algorithm by parallelization of the optimization process at the same time. Results of different parallel implementations of NSGA-II applied to optimal design of small-and medium-size water distribution networks are presented. Good speed-up can be reached with a global model, hence improving the algorithm efficiency. Unlike the global model, the island model (or the hierarchical parallelization) can also improve its efficacy because it introduces fundamental changes in the algorithm exploration method. Possibilities offered by parallel island models have been investigated showing that some parameter configurations can find better solutions compared with the serial version of the algorithm. © IWA Publishing 2012
Going Beyond Counting First Authors in Author Co-citation Analysis
Full text linkThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
ODESSA: A high performance analysis pipeline for Ultra Deep targeted Exome Sequencing data
No full textThe last decade has seen the development of a variety of so-called 'next-generation' sequencing (NGS) technologies, that have revolutionized the field of genomics and post-genomics. In cancer research area, as NGS permeates the cancer biomarker realm and cost of NGS declines, hospitals and clinics will deploy deep sequencing as a means to personalize cancer diagnostics and therapeutics. Here we provide a new automated high-performance bioinformatics web platform, ODESSA (Online Deep Exome Sequencing Software Analysis), developed for targeting genes at high coverage through deep sequencing with the maximum usability, and focused on rational diagnosis of targeted therapies
Variations on the Author
Full text link“Variations on the Author” discusses two of Eduardo Coutinho’s recent films (Um Dia na Vida, from 2010, and Últimas Conversas, posthumously released in 2015) and their contribution to the general question of documentary authorship. The director’s filmography is characterized by a consistent yet self-effacing form of authorial self-inscription: Coutinho often features as an interviewer that rather than express opinions propels discourses; an interviewer that is good at listening. This mode of self-inscription characterizes him as an author who is not expressive but who is nonetheless markedly present on the screen. In Um Dia na Vida, however, Coutinho is completely absent form the image, while Últimas Conversas, on the contrary, includes a confessional prologue that moves the director from the margins to the center of his films. This article examines the ways in which these works stand out in the filmography of a director who offers new insights into the notion of cinematic authorship
Appropriate Similarity Measures for Author Cocitation Analysis
Full text linkWe provide a number of new insights into the methodological discussion about author cocitation analysis. We first argue that the use of the Pearson correlation for measuring the similarity between authors’ cocitation profiles is not very satisfactory. We then discuss what kind of similarity measures may be used as an alternative to the Pearson correlation. We consider three similarity measures in particular. One is the well-known cosine. The other two similarity measures have not been used before in the bibliometric literature. Finally, we show by means of an example that our findings have a high practical relevance.information science;Pearson correlation;cosine;similarity measure;author cocitation analysis
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