On the effect of the thermostat in non-equilibrium molecular dynamics simulations

The numerical investigation of the statics and dynamics of systems in nonequilibrium in general, and under shear flow in particular, has become more and more common. However, not all the numerical methods developed to simulate equilibrium systems can be successfully adapted to out-of-equilibrium cases. This is especially true for thermostats. Indeed, even though thermostats developed to work under equilibrium conditions sometimes display good agreement with rheology experiments, their performance rapidly degrades beyond weak dissipation and small shear rates. Here we focus on gauging the relative performances of three thermostats, Langevin, dissipative particle dynamics, and Bussi-Donadio-Parrinello under varying parameters and external conditions. We compare their effectiveness by looking at different observables and clearly demonstrate that choosing the right thermostat (and its parameters) requires a careful evaluation of, at least, temperature, density and velocity profiles. We also show that small modifications of the Langevin and DPD thermostats greatly enhance their performance in a wide range of parameters.Comment: 13 pages, 9 figure

The emergence of the CTEP in Córdoba : transformations in social mobilization

En un contexto de cambio de gobierno a nivel nacional, profundización de la recesión económica, aumento de la desocupación, del trabajo informal y de la pobreza, en el año 2016 emergieron acciones de protesta en la vía pública en distintas provincias de la Argentina. Estuvieron protagonizadas por organizaciones que formaron parte del movimiento piquetero junto con otras como la Confederación de Trabajadores de la Economía Popular (CTEP). Demandaban la sanción de una Ley de Emergencia Social, la implementación de un salario social complementario, empleo y alimentos. En este trabajo, desde un análisis sociopolítico de las acciones colectivas impulsadas por la CTEP Córdoba, nos preguntamos por las transformaciones en las subjetividades, en los modos de organización y de acción en torno al trabajo y por el vínculo con el Estado desde las que emergen y se proyectan. Postulamos que nos encontraríamos ante ciertos cambios en las subjetividades construidas en torno al trabajo, en las estructuras de movilización, en las demandas y el vínculo que se entabla con el Estado, cuestiones relacionadas con la trayectoria de estos actores y a mutaciones en las políticas públicas. Trabajamos con metodología cualitativa, con fuentes orales y escritas.In a context of national change of government, deepening economic recession, increased unemployment, informal work and poverty, in 2016 emerged streets protests in different provinces of Argentina. They were carried out by organizations that formed part of the “movimiento piquetero" along with others like the Confederation of Workers of the Popular Economy (CTEP). They demanded the sanction of a Social Emergency Law, the implementation of a supplementary social wage, employment and food. In this work, from a sociopolitical analysis of the collective actions promoted by the CTEP Córdoba, we ask for the transformations in the subjectivities, in the modes of organization and action related to the work and the relationship with the State from which they emerge and are projected. We postulate that we would be we would be in the presence of some changes in the subjectivities built around work, mobilization structures, demands and the relationship with the State, issues related to the trajectory of these actors and mutations in public policies. We work with qualitative methodology, with oral and written sources.Fil: Franco, María José. Universidad Nacional de Córdob

El hombre anumérico

Introducción al libro "El hombre anumérico". En este libro de carácter divulgativo y de fácil lectura, J.A. Paulos pone de relieve como el ciudadano medio malinterpreta los datos numéricos, las estadísticas y el concepto de probabilidad

La fórmula preferida del profesor

Este artículo hace una introducción al libro escrito por la japonesa Yoko Ogawa nace en Okayama en 1962. En su novela Perfume de Hielo (1998) realiza su primera incursión en las matemáticas

O mito dos Jesuítas em Portugal : séculos XVI-XX

Revista Lusófona de Ciência das ReligiõesA presente dissertação propõe uma análise, perspectivada na longa duração, das percepções polémicas do carácter, da acção e do papel dos Jesuítas nos diferentes âmbitos da história de Portugal, enquanto configuradoras de uma imagem que ganhou contornos mitificantes, especialmente a partir do ministério político do Primeiro Ministro de D. José I (175-1777). Assim, o Marquês de Pombal é aqui estudado como o fundador do mito da Companhia de Jesus em Portugal. Mas não é possível compreender as raízes, a dimensão, o impacte, as funcionalidades e o significado deste mito negro na cultura e na mentalidade portuguesas se não tivermos em conta os antecedentes deste processo de engendramento de uma imagiologia mítica e a sua recepção e recriação posterior. Por isso, a nossa prospecção hermenêutica insere a fundação pombalina do mito jesuíta numa banda temporal mais lata, que nos permite apreciar a génese, a formação e a evolução do mito, englobando mais de quatro séculos de história

Classification of high dimensional data using LASSO ensembles

Urda, D., Franco, L. and Jerez, J.M. (2017). Classification of high dimensional data using LASSO ensembles. Proceedings IEEE SSCI'17, Symposium Series on Computational Intelligence, Honolulu, Hawaii, U.S.A. (2017). ISBN: 978-1-5386-2726-6The estimation of multivariable predictors with good performance in high dimensional settings is a crucial task in biomedical contexts. Usually, solutions based on the application of a single machine learning model are provided while the use of ensemble methods is often overlooked within this area despite the well-known benefits that these methods provide in terms of predictive performance. In this paper, four ensemble approaches are described using LASSO base learners to predict the vital status of a patient from RNA-Seq gene expression data. The results of the analysis carried out in a public breast invasive cancer (BRCA) dataset shows that the ensemble approaches outperform statistically significant the standard LASSO model considered as baseline case. We also perform an analysis of the computational costs involved for each of the approaches, providing different usage recommendations according to the available computational power.Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tec

Web Acceptance and Usage Model: A Comparison between Goal-directed and Experiential Web Users

In this paper we analyse the Web acceptance and usage between goal-directed users and experiential users, incorporating intrinsic motives to improve the particular and explanatory TAM value –traditionally related to extrinsic motives-. A field study was conducted to validate measures used to operationalize model variables and to test the hypothesised network of relationships. The data analysis method used was Partial Least Squares (PLS).The empirical results provided strong support for the hypotheses, highlighting the roles of flow, ease of use and usefulness in determining the actual use of the Web among experiential and goal-directed users. In contrast with previous research that suggests that flow would be more likely to occur during experiential activities than goal-directed activities, we found clear evidence of flow for goal-directed activities. In particular the study findings indicate that flow might play a powerfulrole in determining the attitude towards usage,intention to useand, in turn,actual Web use among experiential and goal-directed users

El recurso de casación ante el neoconstitucionalismo garantista: crítica filosófica y constitucional de una casación “de minimis” (Tema Central)

This article proposes a critical analysis of an ever more frequent practice of the cassation chambers of the National Court of Justice, here called “de minimis cassation”, by which it is considered sufficient to deny admission or reject a cassation appeal on the mere consideration that the charges contained in it have not been correctly argued under the ground of cassation that the chamber considers adequate in each case. The thesis of this article is that this practice is based on a vitiated conception of cassation and violates the right to effective means of redress in its manifestation as the right to an action and the related pro actione principle, in accordance with the understanding of these contained in the jurisprudence of the Constitutional Court and in legal scholarship.En este artículo se propone un análisis crítico de una práctica cada vez más frecuente de las salas de casación de la Corte Nacional de Justicia –aquí denominada “casación de minimis”– en virtud de la cual se considera suficiente para inadmitir o desechar un recurso la mera consideración de que los cargos contenidos en él no han sido correctamente alegados bajo la causal de casación que la sala considera adecuada en cada caso. La tesis de este artículo es que esta práctica se sustenta en una concepción viciada de la casación y que es violatoria del derecho a la tutela judicial efectiva en su manifestación como derecho a la acción y el relacionado principio pro actione, tal y como estos han sido entendidos en la jurisprudencia de la Corte Constitucional y en la doctrina

Surgimiento y conformación de bandas emergentes. Conformación y confrontación de las bandas emergentes

De décadas pasadas el País ha venido experimentando múltiples manifestaciones criminales, generadoras de violencia y que han entorpecido el crecimiento económico y social, inicialmente se dan los movimientos de autodefensas campesinas que a mediados del siglo anterior dieron origen a los grupos subversivos, posterior a ellos surgen los grupos de autodefensas (paramilitares) con el propósito de realizar una lucha contra subversiva, su actuar criminal dejo un mal aprendizaje tanto en la población civil como en los combatientes, estos últimos que posterior a la desmovilización y pese a los esfuerzos gubernamentales no hallaron camino diferente a continuar con su actuar criminal. En el fenómeno BACRIM se ha dado un reciclaje de especialistas en el uso de las armas, en el grado de subordinación que los diferentes bloques de las AUC habían logrado y las limitaciones y retraso de la política de reintegración para enfrentar ese reciclaje encaminado al trafico de drogas, extorciones entre otras actividades ilícitas, lo que ha permitido a estos grupos delincuenciales un acrecentamiento y fortalecimiento en su actuar criminal.For decades our country has been experiencing multiple criminal manifestations, generating violence and that they have hampered the economic and social growth, initially given the movements of peasant self-defense groups that in the middle of the previous century gave rise to subversive groups, subsequently arise the groups of self-defense (paramilitary) for the purpose of making a fight against subversive emerge back to them. their criminal actions leave one bad learning both, in the civilian population as combatants, these last that later to demobilization and despite the Government's efforts did not find different path that continue with his criminal act. In the BACRIM phenomenon, is given a recycling of specialists in the use of weapons, in the degree of subordination that the different blocks of the AUC had been achieved and the limitations and delay of the reintegration policy to face the recycling intended to the drugs traffic, extortion among other illicit activities, which allowed these criminal groups an enhancement and strengthening in his criminal act