Source majeure de l’histoire du cinéma, la presse cinématographique française des premiers temps reste pourtant encore un vaste continent à explorer. À partir d’un corpus composé de douze revues couvrant la période de 1908 à 1940, cette recherche entreprend d’étudier les facteurs à la fois techniques, économiques et sociaux de la naissance et de l’évolution de la presse cinématographique française sur trois décennies. Envisagée en tant qu’entreprise de presse, dans sa dimension collective, chaque revue fait l’objet d’une étude méthodique de son identité, de ses spécificités, ainsi que des différentes mutations, administratives, techniques, économiques, formelles et éditoriales, subies. L’ambition première de cette thèse est de proposer une histoire autant de la presse que des journalistes. Elle aspire ainsi à définir la profession de journaliste et de critique de cinéma, telle qu’elle est perçue à l’époque par la corporation du cinéma ainsi que les journalistes et critiques eux-mêmes. La définition de cette fonction se fait également à travers la création de groupements professionnels, dont cette recherche espère avoir éclairé l’histoire et les péripéties qui la jalonnent. Le dessein poursuivi par ailleurs est de contribuer à une meilleure connaissance des hommes, journalistes et critiques, encore méconnus pour la plupart mais qui ont pourtant été des figures marquantes de leur époque, qui ont participé à la création de la presse spécialisée et à l’élaboration d’une pensée et d’une critique cinématographiques dans les années 1900-1930. / A major source for history of cinema, the early French film press however still remains a vast, unexplored continent. With a body of research composed of twelve film magazines spanning over the 1908-1940 period, this thesis aims to study the technical, economical and social factors involved in the birth and evolution of the French film press over three decades. Contemplated as a press organization, in its collective dimension, each film magazine is subject to a methodical study of its identity, specifications and various mutations – administrative, technical, economical, formal and editorial – incurred. The main ambition of this thesis is to propose a history of press as well as of journalists. The study thus aims to define the profession of journalist and film critic, as it is perceived in this period by the film corporation and the journalists and critics themselves. This fonction also defines itself through the creation of professional associations, the history and adventures of which this research hopes it has illuminated. The pursued purpose is also to contribute in a better knowledge of the men, journalists and critics, remaining mainly unrecognized to this day despite being major figures of their time, who participated in the creation of the specialized press and the formulation of a critical thought about cinema, in the 1900s-1930s.

Made available in DSpace on 2016-04-28T19:59:01Z (GMT). No. of bitstreams: 1 Berilo Luigi Deiro Nosella.pdf: 517440 bytes, checksum: d451e316214cec8d93a007e898878fb4 (MD5) Previous issue date: 2007-03-11 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / This master degree main objective is the analysis and the study of the dramatical workmanship composition Six Personages in Search of an Author , witch is studied here as Seis Personagens em Busca de um Autor by Luigi Pirandello (1867-1936), staged for the first time in 1921, in Rome / Italy, reaching success in the entire world and deeply influencing the art of the teatral representation of the century XX. The objectives of the research send to analyze the modern elements gifts in the text Six Personages in Search of an Author and to the verification of the specific items on this modern pirandellian text in debate with modernity and contemporality. Basically, here, the analysis if guideline in the reflection on the existence of a tension between tradition and renewal, characteristic of the modernity in general way and specific way of the workmanship of Pirandello. It is treated, therefore, of formal examining the renewal as crisis of the tradition while factor of revelation and denudation as crisis of the modern world that is present like a mean form in the workmanship of Pirandello and in the Modern Drama . The literary analysis of the pirandellian text was based, initially, in the theoretical debate on the question of the literary sorts for the definition of the concept of Modern Drama . For this issue, this thought followed a line that begins with Hegel, goes to Georg Lukács and finishes with Peter Szondi. Advancing in this way, it was turned back to the proper theoretical texts of Pirandello, mainly O Humorismo , wrote in 1903, that involves the modernity of the drama and how it would be articulated, later, in an artistic form. A critical historical pillar helped to support the recital of this work that had as purpose understand and context this workmanship of Pirandello in its time and the present time. It was established, a parallel between two authors: the Italian, contemporary Pirandello, Antonio Gramsci and the german, Walter Benjamin. This debate in allowed in such a way to invest them in the analysis of the tension between form and content, renewing the art of drama of Pirandello culturally (as content) and the respective esthetic way (as form) / Trata, a presente dissertação, da análise e do estudo da obra dramática Seis Personagens em Busca de um Autor, de Luigi Pirandello (1867-1936), encenada pela primeira vez em 1921, em Roma, Itália, alcançando sucesso no mundo todo e influenciando profundamente a dramaturgia do século XX. Os objetivos da pesquisa remetem à analise dos elementos modernos presentes no texto Seis Personagens em Busca de um Autor e à verificação das especificidades desse moderno pirandelliano em debate com a modernidade e a contemporaneidade. Basicamente, aqui, a análise se pauta na reflexão sobre a existência de uma tensão entre tradição e renovação, característica da modernidade de modo geral e de modo específico da obra de Pirandello. Trata-se, portanto, de formalmente examinar a renovação como crise da tradição enquanto fator de revelação e desnudamento de uma crise do mundo moderno que se apresentaria como uma forma fundamental na obra de Pirandello e no Drama Moderno . A análise literária do texto pirandelliano alicerçou-se, inicialmente, no debate teórico sobre a questão dos gêneros literários para a definição do conceito de Drama Moderno . Para tanto, esse pensamento seguiu uma linha que parte de Hegel, passa por Gyorgy Lukács e se finaliza com Peter Szondi. Avançando neste caminho, voltou-se aos próprios textos teóricos de Pirandello, principalmente O Humorismo, escrito em 1903, que compreende a modernidade do drama e como se articularia, posteriormente, numa forma artística. Sustentou ainda a fundamentação deste trabalho um pilar crítico-histórico que teve como finalidade compreender e contextualizar a obra de Pirandello em seu tempo e na atualidade. Estabeleceu-se, assim, um paralelo entre dois autores: o italiano, contemporâneo a Pirandello, Antonio Gramsci e o alemão Walter Benjamin. Esse debate nos permitiu investir na análise da tensão entre forma e conteúdo, renovando a dramaturgia de Pirandello tanto culturalmente (como conteúdo) quanto esteticamente (como forma)

Neste corpascrever, meu argumento é o de que levar a sério o problema da naturalização da violência estrutural confere uma (re)nova(da) perspectiva sobre processos de politização de diferenças. Ao inquirir acerca das precondições para a geração de enquadramentos não hegemônicos em contextos marcados por violências estruturais, proponho a reconceitualização dos projetos de politização de diferenças enquanto defesa de processos de autodeterminação cole(a)tiva. Essa tese é defendida em três movimentos interdependentes: (3) por meio de reflexões filosófico-epistemológico-poéticas sobre a relevância da espacialização cole(a)tiva para a experiência da temporalidade; (2) por meio de considerações teóricopolíticas sobre a relação entre o problema do essencialismo e a possibilidade de agência cole(a)tiva subversiva; bem como (1) por meio do vislumbre da con-figur-ação do processo de (r)existência dos povos munduruku e ribeirinho à construção de barragens no Médio Tapajós. Conforme sugiro, a politização de diferenças, sob o proposto viés, apresenta-se como condição sine qua non para viabilizar a apreensão do modus operandi de violências estruturais, uma vez que apenas movimentos (pro)positivos cole(a)tivos permitem a emergência de imagens capazes de colocar a norma hegemônica fundamentalmente em xeque, de modo a transcender os limites inerentes a posturas exclusivamente reativas, co-movendo no sentido da reestruturação do mundo. / In this writingbody, I exam in depth the problem of naturalization of structural violence in order to argue for a (re)new(ed) perspective on the politicization of differences. I suggest a reconceptualization of the politicization of differences as a defense of colle(a)ctive selfdetermination processes through an investigation about the preconditions for the generation of non-hegemonic frames in contexts ruled by structural violence. This thesis is undertaken in three interdependent movements: (3) a philosophical-epistemological-poetical reflexion on the relevance of colle(a)ctive spatialization processes for the experience of temporality; (2) a political-theorical consideration on the relationship between the problem of essentialism and the possibility of subversive colle(a)ctive agency; and (1) a perspective on the con-figura( c)tion of the Munduruku and the riverside peoples (r)existence process to the construction of dams in Middle Tapajós region. I argue that the politicization of differences is conditio sine qua non in order to enable the denaturalization of structural violence, as only (pro)positional colle(a)ctive movements transcend the limits of merely reactive positions, enabling the emergency of images that can call the hegemonic rule into question and, therefore, initiate processes of structural trans-formation.

Orientador: Rubén Augusto Romero Lázaro / Resumo: A análise de sistemas altamente complexos quando e analizado o problema de planejamento de expansão de redes de transmissão de longo prazo, é o foco principal deste trabalho. Os modelos e metodos propostos são aplicados ao problema de planejamento estático tradicional, que é um problema de otimização matemática classificado como NP-completo, não-linear inteiro misto. O qual envolve no investimento, variáveis operacionais contínuas e variáveis inteiras. O comportamento normal de cada sistema pode conter informação essencial para a criação de novos métodos, como os planos de corte baseados em cortes de diferença de ângulos para problemas de grande escala, o que é a base é o ponto de partida deste trabalho, derivando em desigualdades válidas é ciclos críticos. Os cortes angulares básicos reduzem o espaço de busca do problema e o tempo total de cálculo deste problema, enquanto ao método de inequações válidas que pode ser usado para fornecer limites inferiores sólidos no investimento ótimo do planejamento de transmissão, já que a diferença entre o modelo DC (modelo exato) e o modelo de transporte (modelo mais relaxado) são as restrições angulares. Os ciclos críticos têm sido desenvolvidos para melhoraralguns dos modelos tradicionais do problemas de planejamento da expansão da rede de transmissão de longo prazo. A razão por trás disso é a ausência da segunda lei de Kirchhoff, que completa a representação do sistema, mas aumenta a complexidade. Para resolver os problemas resultantes... (Resumo completo, clicar acesso eletrônico abaixo) / Abstract: The analysis of highly complex systems when solving the long-term transmission network expansion planning problem is the main focus of this work. The proposed improved models and methodology are applied to the traditionalstatic planning problem, which is a mathematical optimization problem classified as NP-complete and mixed-integer nonlinear problem. It involves continuousoperating variables and integer investment variables. The normal behavior of each system can be shown essential information to the creation of new methods, as the cutting-planes based in bus-angle difference cuts for large-scale problems which were the starting point of this work, deriving in valid inequalities and critic cycles. The angular cuts aim to reduce the search space of the problem and the total computation time of this NP-hard problem as for the valid inequalities methodthat can be used to provide strong lower bounds on the optimal investment of the transmissionplanning, since the difference between the DC model (exact model) and the transport model (more relaxed model) are the angular constraints. Critic cycles has been develop in order to improve some of the traditional long-term transmission network expansion planning problem models. The reason behind it is the absence of second Kirchhoff’s law which completes the representationof the system, but increase the complexity. In order to solve the resulting problems, this work uses the modeling language AMPL with the solver CPLEX. In test systems w... (Complete abstract click electronic access below) / Doutor

Neste corpascrever, meu argumento é o de que levar a sério o problema da naturalização da violência estrutural confere uma (re)nova(da) perspectiva sobre processos de politização de diferenças. Ao inquirir acerca das precondições para a geração de enquadramentos não hegemônicos em contextos marcados por violências estruturais, proponho a reconceitualização dos projetos de politização de diferenças enquanto defesa de processos de autodeterminação cole(a)tiva. Essa tese é defendida em três movimentos interdependentes: (3) por meio de reflexões filosófico-epistemológico-poéticas sobre a relevância da espacialização cole(a)tiva para a experiência da temporalidade; (2) por meio de considerações teóricopolíticas sobre a relação entre o problema do essencialismo e a possibilidade de agência cole(a)tiva subversiva; bem como (1) por meio do vislumbre da con-figur-ação do processo de (r)existência dos povos munduruku e ribeirinho à construção de barragens no Médio Tapajós. Conforme sugiro, a politização de diferenças, sob o proposto viés, apresenta-se como condição sine qua non para viabilizar a apreensão do modus operandi de violências estruturais, uma vez que apenas movimentos (pro)positivos cole(a)tivos permitem a emergência de imagens capazes de colocar a norma hegemônica fundamentalmente em xeque, de modo a transcender os limites inerentes a posturas exclusivamente reativas, co-movendo no sentido da reestruturação do mundo. / In this writingbody, I exam in depth the problem of naturalization of structural violence in order to argue for a (re)new(ed) perspective on the politicization of differences. I suggest a reconceptualization of the politicization of differences as a defense of colle(a)ctive selfdetermination processes through an investigation about the preconditions for the generation of non-hegemonic frames in contexts ruled by structural violence. This thesis is undertaken in three interdependent movements: (3) a philosophical-epistemological-poetical reflexion on the relevance of colle(a)ctive spatialization processes for the experience of temporality; (2) a political-theorical consideration on the relationship between the problem of essentialism and the possibility of subversive colle(a)ctive agency; and (1) a perspective on the con-figura( c)tion of the Munduruku and the riverside peoples (r)existence process to the construction of dams in Middle Tapajós region. I argue that the politicization of differences is conditio sine qua non in order to enable the denaturalization of structural violence, as only (pro)positional colle(a)ctive movements transcend the limits of merely reactive positions, enabling the emergency of images that can call the hegemonic rule into question and, therefore, initiate processes of structural trans-formation.

Notre étude veut apporter des précisions historiques sur la scène artistique des années 1990 à partir d’un travail de critique d’art. Nous interrogeant sur la place de ce type d’écriture dans un contexte qui médiatise largement une crise de l’art contemporain dans l’espace public, nous examinons comment la remise en question de la modernité est propice à la création de trois nouvelles revues Documents sur l’art contemporain, Blocnotes et Purple Prose. La recherche nous porte à examiner les structures existantes dans lesquelles évoluent les différents acteurs du monde de l’art qui vont accueillir une nouvelle génération de critiques et d’artistes, - des centres d’art mais aussi de nouvelles galeries d’art symptomatiques d’un héritage culturel de décentralisation. Nous dégageons la spécificité de Blocnotes : le rejet des années 1980 et les repères historiques conceptuels des années 1960-1970, les rapports de l’art et du féminisme, la collaboration centrale des artistes, la réflexion sur l’exposition, l’objet fini, l’in situ et l’installation, le cinéma comme modèle. Loin d’une vision univoque de la décennie, nous redéployons des pratiques artistiques et leurs enjeux en nous plongeant dans les textes des nombreux contributeurs de Blocnotes tout en prolongeant par des entretiens des échanges entre critiques et artistes. / The study we are developing here wants to provide historical precisions about 90's artistic scene from an art critic's point of view. By questioning ourselves about the place of this type of writing in a context which widely mediates a contemporary art crisis in the public space, we would like to analyze how the questioning of modernity will be propitious for the creation of three new periodicals : Documents sur l'art contemporain, Blocnotes and Purple Prose. Our research leads us to study the existing structures that will welcome a new generation of critics and artists in which evolve various protagonists working in the field of art – art centers but also new art galleries symptomatic of a decentralized cultural heritage. We particularly enhance the specificities of Blocnotes : the rejection of the 80's and historico-conceptual markers of 60's and 70's, the relationships between art and feminism, the central collaboration of artists, the reflection about exhibition, finished object, the in situ and the installation, the cinema as a model.Remaining far off an unequivocal vision of the decade, we redeploy artistic practices and their issues by plunging ourselves in the texts of Blocnotes' numerous contributors while extending by interviews and exchanges between critics and artists.

Jean-Baptiste Isabey (1767-1855) connaît une carrière exceptionnellement longue qui s’étend de la Révolution au Second Empire. Après avoir exposé ses premières œuvres au Salon de 1791, cet élève de Jacques-Louis David s’impose sur la scène artistique du Directoire comme le premier dessinateur et miniaturiste de son temps. En s'inscrivant dans un contexte favorable à la diffusion de portraits de moindre coût et de moindre format, sa réussite peu commune rend compte de l'évolution des critères de la reconnaissance artistique à la fin du XVIIIe. Elle témoigne également de la promotion du statut social de l'artiste autour de 1800. Lié aux proches du clan Bonaparte sous la Consulat, Isabey est un des portraitistes de la période les mieux introduits auprès des élites. Son habileté à exploiter des sujets qui répondent aux goûts de ses contemporains permets de mesurer l'importance des relations mondaines dans la naissance et la diffusion des réputations artistiques au tournant du XIXe siècle. Entre 1800 et 1805, Isabey est l'auteur de plusieurs grands dessins de propagande qui scandent les principales étapes de la consolidation du nouveau pouvoir. Familier de la noblesse impériale, l'artiste accumule honneurs et commandes officielles au lendemain du Sacre. Sa réputation est associée aux portraits miniatures de l’Empereur destinés à la caisse des présents diplomatiques et à quelques-unes des plus célèbres représentations officielles de Marie-Louise et du roi de Rome. Ses responsabilités sont extrêmement variées et sa production considérable : il est à la fois peintre des relations extérieures, dessinateur du cabinet et des cérémonies et décorateur en chef de l'Opéra. L'étude de ce parcours pluridisciplinaire offre un champ d'étude remarquable, qui nous fournit bien des clefs pour comprendre la carrière et le statut des artistes de cour sous l'Empire. Après Waterloo, Isabey est mis à l’écart du pouvoir en raison de ses engagements bonapartistes. L'artiste exécute alors plusieurs caricatures et portraits qui le montrent prompt à critiquer la monarchie restaurée. L'analyse des effets de la résistance au régime royaliste dans le monde des arts entre 1815 et 1820 aide à saisir le sens de son engagement dans l'opposition. La période qui s’ouvre au lendemain des Cent-Jours est également fondamentale pour comprendre le parcours artistique d'Isabey et pour apprécier la place que lui assignèrent ses contemporains dans l’art de la première partie du XIXe siècle. Son abondante production, qui se décline en miniatures sur vélin, dessins, lithographies, aquarelles et peintures à l’huile le montre soucieux de l'évolution du goût. Elle met aussi en lumière la difficulté qu'il éprouve à conserver sa réputation de portraitiste après 1820. Cette thèse fournit pour la première fois un catalogue de l’œuvre d'Isabey / Jean-Baptiste Isabey (1767-1855) had an exceptionally long career that spanned from the French Revolution until the Second French Empire. After his early works' exhibition at the Salon of 1791, this student of Jacques-Louis David rapidly became, on the art scene of the French Directory, the finest artist and miniaturist of his time. In a context that made the dissemination of low-cost and small-sized portraits easier, his unusual success reflects the change of artistic recognition criteria in the late eighteenth century. It also reflects the improvement of the social status of artists around 1800. Linked to people that were close to Bonaparte under the French Consulate, Isabey is one of the period's best introduced portraitists. His cleverness in using themes that meet his contemporaries' tastes clearly shows how important social relationships can be in the making and spreading of artistic reputations at the turn of the nineteenth century. Between 1800 and 1805, Isabey is the author of several large propaganda drawings that punctuate the main steps of the new power's consolidation. Familiar with the imperial nobility, the artist collects honours and official commissions in the wake of the Coronation. His reputation is associated with miniature portraits of the Emperor made for the fund of diplomatic presents and with some of the most famous official representations of Marie-Louise and of the King of Rome. His responsibilities are manifold and he produces a lot: he is the official painter for external relations, designer of the Cabinet, designer of Ceremonies and chief decorator of the Opera. The study of this multidisciplinary career gives many keys to a better understanding of the career and status of court artists under the Empire. After Waterloo, Isabey is sidelined because of his bonapartist commitments. At this time the artist performs several caricatures and portraits where he clearly criticizes the freshly restored monarchy. Analysing the effects of this resistance to the royalist regime in the world of arts between 1815 and 1820 helps in understanding his commitment to the opposition. The period opening in the aftermath of the Hundred Days is also fundamental to understanding Isabey's artistic career and to appreciate the place he was assigned by his contemporaries in the art of the first part of the nineteenth century. His prolific output, which comes in miniature on vellum, drawings, lithographs, watercolours and oil paintings shows his constant concern about changing tastes. It also highlights the difficulty he has to maintain his reputation as a portraitist after 1820.This thesis provides for the first time a catalogue of Isabey's works

Cette thèse se propose de décomposer le spectre des commentaires critiques, historiques ou littéraires qui se sont projetés sur l'œuvre d'Édouard Manet dans la première moitié du XXe siècle, en regard de multiples contrepoints visuels. Cet «exercice de style méthodologique total» que permet Manet, selon les mots de Pierre Bourdieu, vise à rendre compte d'une réception mythique, monumentale et pourtant méconnue, tout en procédant en permanence à l'analyse réflexive de ses propres outils d'investigation. Par le prisme de ces présences posthumes très hétérogènes, souvent d'une grande violence, le but est de retracer la généalogie du concept narratif de «modernité» qui s'est déployé à partir d'Édouard Manet, en Europe et aux États-Unis, alors que son œuvre était simultanément défigurée en incarnation du classicisme national. Plus qu'une origine, Manet peut alors se définir comme un «carrefour» : un embranchement, à la puissance spéculaire considérable, d'idéologies, d'historicités et de projections fantasmagoriques. Ces analyses ont pour objet des réseaux très denses d'attraction, de répulsion, et de contamination entre différents systèmes d' énonciation dissonants, envisagés en regard des procédés déployés par Manet lui-même, dans le mouvement d'une œuvre à la fois profondément relationnelle et d'une radicale altérité. La problématique récurrente du fractionnement - dans la multiplicité de ses enjeux et de ses déterminations schizoïdes, du dualisme au fétichisme - forme le fil directeur de cet effort d'exhumation intellectuelle : est ici retracée en détail l'impossible tentative d'en finir avec un peintre qui ne cesse d'inquiéter une modernité constituée sur son nom. / The purpose of this dissertation is to decompose the spectrum of commentary, historical and literary, along with the multiple visual counterpoints, that were generated from the work of Édouard Manet in the first half of the 20th century. Manet allows for this « total methodological exercise », in Pierre Bourdieu's words, which endeavours to reckon with a mythical, monumental, yet mostly unknown reception, while continually conducting a reflexive analysis of its own investigative tools. Through the scope of these posthumous, heterogeneous and often extremely violent occurrences, the goal is to retrace the genealogy of the narrative concept of« modernity » which was uncoiled from the figure of Édouard Manet, in Europe and the United States, during a time when his work was simultaneously being distorted as an incarnation of national classicism. More than a point of origin, Manet can be defined as a « crossroad » : a powerful specular junction of ideologies, historicities and phantasmagorical projections. The abject of these analyses is the dense network of attraction, repulsion, and contamination that has been woven between the various and discordant systems of enunciation, studied in the light of processes set up by Manet himself, through a body of work both profoundly relational, yet radically alien. The recurrent question of fractioning, in its multiple issues and schizoid determinations - from dualism to fetishism - make up the guiding principle of this effort of intellectual exhumation; here are retraced in detail the impossible attempts that were made to do away with a painter who has time and again proven to be cause for concern to an idea of modernity created under his name.

Durante la última década y paralelamente al incremento de la velocidad de computación, las técnicas de simulación molecular se han erigido como una importante herramienta para la predicción de propiedades físicas de sistemas de interés industrial. Estas propiedades resultan esenciales en las industrias química y petroquímica a la hora de diseñar, optimizar, simular o controlar procesos. El actual coste moderado de computadoras potentes hace que la simulación molecular se convierta en una excelente opción para proporcionar predicciones de dichas propiedades. En particular, la capacidad predictiva de estas técnicas resulta muy importante cuando en los sistemas de interés toman parte compuestos tóxicos o condiciones extremas de temperatura o presión debido a la dificultad que entraña la experimentación a dichas condiciones. La simulación molecular proporciona una alternativa a los modelos termofísicos utilizados habitualmente en la industria como es el caso de las ecuaciones de estado, modelos de coeficientes de actividad o teorías de estados correspondientes, que resultan inadecuados al intentar reproducir propiedades complejas de fluidos como es el caso de las de fluidos que presentan enlaces de hidrógeno, polímeros, etc. En particular, los métodos de Monte Carlo (MC) constituyen, junto a la dinámica molecular, una de las técnicas de simulación molecular más adecuadas para el cálculo de propiedades termofísicas. Aunque, por contra del caso de la dinámica molecular, los métodos de Monte Carlo no proporcionan información acerca del proceso molecular o las trayectorias moleculares, éstos se centran en el estudio de propiedades de equilibrio y constituyen una herramienta, en general, más eficiente para el cálculo del equilibrio de fases o la consideración de sistemas que presenten elevados tiempos de relajación debido a su bajos coeficientes de difusión y altas viscosidades. Los objetivos de esta tesis se centran en el desarrollo y la mejora tanto de algoritmos de simulación como de potenciales intermoleculares, factor considerado clave para el desarrollo de las técnicas de simulación de Monte Carlo. En particular, en cuanto a los algoritmos de simulación, la localización de puntos críticos de una manera precisa ha constituido un problema para los métodos habitualmente utilizados en el cálculo de equlibrio de fases, como es el método del colectivo de GIBBS. La aparición de fuertes fluctuaciones de densidad en la región crítica hace imposible obtener datos de simulación en dicha región, debido al hecho de que las simulaciones son llevadas a cabo en una caja de simulación de longitud finita que es superada por la longitud de correlación. Con el fin de proporcionar una ruta adecuada para la localización de puntos críticos tanto de componentes puros como mezclas binarias, la primera parte de esta tesis está dedicada al desarrollo y aplicación de métodos adecuados que permitan superar las dificultades encontradas en el caso de los métodos convencionales. Con este fin se combinan estudios de escalado del tamaño de sitema con técnicas de "Histogram Reweighting" (HR). La aplicación de estos métodos se ha mostrado recientemente como mucho mejor fundamentada y precisa para el cálculo de puntos críticos de sistemas sencillos como es el caso del fluido de LennardJones (LJ). En esta tesis, estas técnicas han sido combinadas con el objetivo de extender su aplicación a mezclas reales de interés industrial. Previamente a su aplicación a dichas mezclas reales, el fluido de LennardJones, capaz de reproducir el comportamiento de fluidos sencillos como es el caso de argón o metano, ha sido tomado como referencia en un paso preliminar. A partir de simulaciones realizadas en el colectivo gran canónico y recombinadas mediante la mencionada técnica de "Histogram Reweighting" se han obtenido los diagramas de fases tanto de fluidos puros como de mezclas binarias. A su vez se han localizado con una gran precisión los puntos críticos de dichos sistemas mediante las técnicas de escalado del tamaño de sistema. Con el fin de extender la aplicación de dichas técnicas a sistemas multicomponente, se han introducido modificaciones a los métodos de HR evitando la construcción de histogramas y el consecuente uso de recursos de memoria. Además, se ha introducido una metodología alternativa, conocida como el cálculo del cumulante de cuarto orden o parámetro de Binder, con el fin de hacer más directa la localización del punto crítico. En particular, se proponen dos posibilidades, en primer lugar la intersección del parámetro de Binder para dos tamaños de sistema diferentes, o la intersección del parámetro de Binder con el valor conocido de la correspondiente clase de universalidad combinado con estudios de escalado. Por otro lado, y en un segundo frente, la segunda parte de esta tesis está dedicada al desarrollo de potenciales intermoleculares capaces de describir las energías inter e intramoleculares de las moléculas involucradas en las simulaciones. En la última década se han desarrolldo diferentes modelos de potenciales para una gran variedad de compuestos. Uno de los más comunmente utilizados para representar hidrocarburos y otras moléculas flexibles es el de átomos unidos, donde cada grupo químico es representado por un potencial del tipo de LennardJones. El uso de este tipo de potencial resulta en una significativa disminución del tiempo de cálculo cuando se compara con modelos que consideran la presencia explícita de la totalidad de los átomos. En particular, el trabajo realizado en esta tesis se centra en el desarrollo de potenciales de átomos unidos anisotrópicos (AUA), que se caracterizan por la inclusión de un desplazamiento de los centros de LennardJones en dirección a los hidrógenos de cada grupo, de manera que esta distancia se convierte en un tercer parámetro ajustable junto a los dos del potencial de LennardJones.En la segunda parte de esta tesis se han desarrollado potenciales del tipo AUA4 para diferentes familias de compuesto que resultan de interés industrial como son los tiofenos, alcanoles y éteres. En el caso de los tiofenos este interés es debido a las cada vez más exigentes restricciones medioambientales que obligan a eliminar los compuestos con presencia de azufre. De aquí la creciente de necesidad de propiedades termodinámicas para esta familia de compuestos para la cual solo existe una cantidad de datos termodinámicos experimentales limitada. Con el fin de hacer posible la obtención de dichos datos a través de la simulación molecular hemos extendido el potencial intermolecular AUA4 a esta familia de compuestos. En segundo lugar, el uso de los compuestos oxigenados en el campo de los biocombustibles ha despertado un importante interés en la industria petroquímica por estos compuestos. En particular, los alcoholes más utilizados en la elaboración de los biocombustibles son el metanol y el etanol. Como en el caso de los tiofenos, hemos extendido el potencial AUA4 a esta familia de compuestos mediante la parametrización del grupo hidroxil y la inclusión de un grupo de cargas electrostáticas optimizadas de manera que reproduzcan de la mejor manera posible el potencial electrostático creado por una molecula de referencia en el vacío. Finalmente, y de manera análoga al caso de los alcanoles, el último capítulo de esta tesis la atención se centra en el desarrollo de un potencial AUA4 capaz de reproducir cuantitativamente las propiedades de coexistencia de la familia de los éteres, compuestos que son ampliamente utilizados como solventes. / Parallel with the increase of computer speed, in the last decade, molecular simulation techniques have emerged as important tools to predict physical properties of systems of industrial interest. These properties are essential in the chemical and petrochemical industries in order to perform process design, optimization, simulation and process control. The actual moderate cost of powerful computers converts molecular simulation into an excellent tool to provide predictions of such properties. In particular, the predictive capability of molecular simulation techniques becomes very important when dealing with extreme conditions of temperature and pressure as well as when toxic compounds are involved in the systems to be studied due to the fact that experimentation at such extreme conditions is difficult and expensive.Consequently, alternative processes must be considered in order to obtain the required properties. Chemical and petrochemical industries have made intensive use of thermophysical models including equations of state, activity coefficients models and corresponding state theories. These predictions present the advantage of providing good approximations with minimal computational needs. However, these models are often inadequate when only a limited amount of information is available to determine the necesary parameters, or when trying to reproduce complex fluid properties such as that of molecules which exhibit hydrogen bonding, polymers, etc. In addition, there is no way for dynamical properties to be estimated in a consistent manner.In this thesis, the HR and FSS techniques are combined with the main goal of extending the application of these methodologies to the calculation of the vaporliquid equilibrium and critical point of real mixtures. Before applying the methodologies to the real mixtures of industrial interest, the LennardJones fluid has been taken as a reference model and as a preliminary step. In this case, the predictions are affected only by the omnipresent statistical errors, but not by the accuracy of the model chosen to reproduce the behavior of the real molecules or the interatomic potential used to calculate the configurational energy of the system.The simulations have been performed in the grand canonical ensemble (GCMC)using the GIBBS code. Liquidvapor coexistences curves have been obtained from HR techniques for pure fluids and binary mixtures, while critical parameters were obtained from FSS in order to close the phase envelope of the phase diagrams. In order to extend the calculations to multicomponent systems modifications to the conventional HR techniques have been introduced in order to avoid the construction of histograms and the consequent need for large memory resources. In addition an alternative methodology known as the fourth order cumulant calculation, also known as the Binder parameter, has been implemented to make the location of the critical point more straightforward. In particular, we propose the use of the fourth order cumulant calculation considering two different possibilities: either the intersection of the Binder parameter for two different system sizes or the intersection of the Binder parameter with the known value for the system universality class combined with a FSS study. The development of transferable potential models able to describe the inter and intramolecular energies of the molecules involved in the simulations constitutes an important field in the improvement of Monte Carlo techniques. In the last decade, potential models, also referred to as force fields, have been developed for a wide range of compounds. One of the most common approaches for modeling hydrocarbons and other flexible molecules is the use of the unitedatoms model, where each chemical group is represented by one LennardJones center. This scheme results in a significant reduction of the computational time as compared to allatoms models since the number of pair interactions goes as the square of the number of sites. Improvements on the standard unitedatoms model, where typically a 612 LennardJones center of force is placed on top of the most significant atom, have been proposed. For instance, the AUA model consists of a displacement of the LennardJones centers of force towards the hydrogen atoms, converting the distance of displacement into a third adjustable parameter. In this thesis we have developed AUA 4 intermolecular potentials for three different families of compounds. The family of ethers is of great importance due to their applications as solvents. The other two families, thiophenes and alkanols, play an important roles in the oil and gas industry. Thiophene due to current and future environmental restrictions and alkanols due ever higher importance and presence of biofuels in this industry.

Les mammifères ont la capacité de suivre différents comportements de navigation, définis comme des " stratégies " ne faisant pas forcément appel à des processus conscients, suivant la tâche spécifique qu'ils ont à résoudre. Dans certains cas où un indice visuel indique le but, ils peuvent suivre une simple stratégie stimulus-réponse (S-R). À l'opposé, d'autres tâches nécessitent que l'animal mette en oeuvre une stratégie plus complexe basée sur l'élaboration d'une certaine représentation de l'espace lui permettant de se localiser et de localiser le but dans l'environnement. De manière à se comporter de façon efficace, les animaux doivent non seulement être capables d'apprendre chacune de ces stratégies, mais ils doivent aussi pouvoir passer d'une stratégie à l'autre lorsque les exigences de l'environnement changent. La thèse présentée ici adopte une approche pluridisciplinaire - comportement, neurophysiologie, neurosciences computationnelles et robotique autonome - de l'étude du rôle du striatum et du cortex préfrontal dans l'apprentissage et l'alternance de ces stratégies de navigation chez le rat, et leur application possible à la robotique. Elle vise notamment à préciser les rôles respectifs du cortex préfrontal médian (mPFC) et de différentes parties du striatum (DLS :dorsolateral ; VS : ventral) dans l'ensemble de ces processus, ainsi que la nature de leurs interactions. Le travail expérimental effectué a consisté à : (1) étudier le rôle du striatum dans l'apprentissage S-R en : (a) analysant des données électrophysiologiques enregistrées dans le VS chez le rat pendant une tâche de recherche de récompense dans un labyrinthe en croix ; (b) élaborant un modèle Actor-Critic de l'apprentissage S-R où le VS est le Critic qui guide l'apprentissage, tandis que le DLS est l'Actor qui mémorise les associations S-R. Ce modèle est étendu à la simulation robotique et ses performances sont comparées avec des modèles Actor-Critic existants dans un labyrinthe en croix virtuel ; (2) Dans un deuxième temps, le rôle du striatum dans l'apprentissage de stratégies de type localisation étant supposé connu, nous nous sommes focalisés sur l'étude du rôle du mPFC dans l'alternance entre stratégies de navigation, en effectuant des enregistrements électrophysiologiques dans le mPFC du rat lors d'une tâche requiérant ce type d'alternance. Les principaux résultats de ce travail suggèrent que : (1) dans le cadre S-R : (a) comme chez le singe, le VS du rat élabore des anticipations de récompense cohérentes avec la théorie Actor-Critic ; (b) ces anticipations de récompense peuvent être combinées avec des cartes auto-organisatrices dans un modèle Actor-Critic obtenant de meilleures performances que des modèles existants dans un labyrinthe en croix virtuel, et disposant de capacités de généralisation intéressantes pour la robotique autonome ; (2) le mPFC semble avoir un rôle important lorsque la performance de l'animal est basse et qu'il faut apprendre une nouvelle stratégie. D'autre part, l'activité de population dans le mPFC change rapidement, en correspondance avec les transitions de stratégies dans le comportement du rat, suggérant une contribution de cette partie du cerveau dans la sélection flexible des stratégies comportementales. Nous concluons ce manuscrit par une discussion de nos résultats dans le cadre de travaux précédents en comportement, électrophysiologie et modélisation. Nous proposons une nouvelle architecture du système préfronto-striatal chez le rat dans laquelle des sous-parties du striatum apprennent différentes stratégies de navigation, et où le cortex préfrontal médian décide à chaque instant quelle stratégie devra régir le comportement du rat.