A Listing of Current Books

The contents of this thesis are centered in the developement of new efficient algorithms for molecular integral evaluation in quantum chemistry, as well as new design and implementation strategies for such algorithms aimed at maximizing their performance and the utilization of modern hardware. This thesis introduces the K4+MIRROR algorithm for 2-electron repulsion integrals, a new ERI integral scheme effective for both segmented and general contraction, which surpasses the performance of all previous ERI analytic algorithms published in the literature. The performance of the K4 kernel contraction schemeis further boosted by the use of some new recurrence relations, CDR/AERR family of recurrences, and the algorithms is further refined for spherical GTOs with the also new SKS method. New prescreening methods for two-electron integrals are also derived, allowing a more consistent methodology for discarding negligible ERI batches. This thesis introduces new techniques useful to pack integrals efficiently and better exploit the underlying modern SIMD or stream processing hardware. These algorithms and methods are implemented in a new library, the Echidna Fock Solver, a hybrid parallelized module for computing Coulomb and Exchange matrices which has been interfaced to the Dalton suite of quantum chemistry programs. Self-Consistent Field and Response Theory calculations in Dalton using the new EFS library are substantially accelerated, also enabling for the first time the use of general contraction basis sets as default basis for extended calculations. The thesis further describes the derivation and implementation of an integral algorithm for evaluating the matrix elements needed for the recently introduced QM/CMM method, for which many of the techniques previously derived are also used, along with a suitable prescreening method for the matrix elements. The implementation is also interfaced to the Dalton quantum chemistry program, and used in production calculations. The last chapter of the thesis is devoted to the derivation of a general analytic solution for type-II Effective Core Potential integrals, arguably one of the most troublesome molecular integrals in quantum chemistry. A new recurrence is introduced for the integrals, and a screening method is presented. Based on these results, a new efficient algorithm for computing type-II ECPs is also described.  QC 20140826</p

Silêncio que se vai cantar o fado...

Tentarei explicar como acontece a estranha consistência de uma música que todos os portugueses reconhecem como sua, que o mundo inteiro reconhece como portuguesa – enquadramento social do fado, suas características mais marcantes, conteúdos cantados, base musical e instrumentos utilizados, fados tradicionais e improvisação. O silêncio também … Nem musicóloga, nem historiadora, sou uma cantadeira que fala do fado como se de um amigo fosse. Este texto serviu de base para uma comunicação apresentada no seminário “Processos composicionais na música brasileira – a musicalidade no lundum e no fado, na chula e no samba” (5ª Mostra de Música Leão do Norte, Sesc Santo Amaro – Recife, outubro de 2014). Darei alguns exemplos cantados (links propostos ao longo do texto). Neles, em modo "ensaio", juntaram-se gentilmente a mim António Queiroz, Nuno Siqueira (guitarra portuguesa) e Rui Silveira (viola), a quem muito agradeço. Agradeço ainda a Rodrigo Lacerda pelo apoio logístico à gravação dos vídeos.In this article I will try to explain how the strange consistency of a genre that all the Portuguese people recognize as theirs, which the whole world recognizes as Portuguese, is shaped – the social framework of fado, its most striking characteristics, lyrics, musical base and instruments used, traditional fado and improvisation. And the silence too… I am not a musicologist or a historian. I am a singer (cantadeira) who talks about fado as if it were a friend. This text was the basis for a presentation at the seminar “Processos composicionais na música brasileira – a musicalidade no lundum e no fado, na chula e no samba” (5ª Mostra de Música Leão do Norte, Sesc Santo Amaro – Recife, October 2014).I will provide some examples of music throughout the text. I am accompanied by António Queiroz, Nuno Siqueira (Portuguese guitar) and Rui Silveira (guitar) in a “rehearsal mode”. I warmly thank both of them. I also thank Rodrigo Lacerda for his support recording the videos

Amplification of Legal Advocacy: Public Health Approaches to Releasing Immigrant Detainees at the Otay Mesa Detention Center, San Diego, California, United States

This paper reviews the current health practices of Immigration and Customs Enforcement (ICE) detention centers, focusing on asylum seekers housed at Otay Mesa Detention Center (OMDC) located in San Diego, California, United States. Many asylum seekers, or foreign nationals who have been confirmed to have a credible fear of persecution in their home countries, regardless of how they enter the United States, are placed into Federal Immigration and Customs Enforcement detention centers. Two avenues for the release of detainees while they wait for their asylum cases to be heard by an immigration judge are bond and parole applications, the basis for this project and fieldwork. Asylum is a process that seeks to prove why a person cannot safely go home, bond and parole are processes that seek to prove why a person cannot stay in detention. A new holistic approach to both these processes includes the support of public health evidence. Public health professionals working with attorneys can be the difference between being sent back to their country of origin, released, continued detention, or life and death for many migrant detainees. The collaboration highlighted in this fieldwork included me, serving as a public health intern, and the binational legal advocacy organization, Al Otro Lado (AOL) and their Otay Mesa Release Project. The Otay Mesa Release Project focuses on using bond and parole applications to get detainees released from detention so that they may fight their asylum cases as non-detained asylum seekers. Together we declared OMDC as a risk factor for negative health outcomes. Detainees have been documented to suffer from a number of ailments ranging from diabetes to PTSD and further suffer from compounded trauma from their experiences living in detention centers. By including public health facts and research in legal arguments, detainees represented by AOL attorneys now have a better chance at release than the national averages

Real woman versus dreamed-of woman. New images of women in the contemporary poetry

El análisis que presentamos dirige su mirada a las imágenes de mujer que aparecen en la poesía escrita por hombres. El marco temporal se delimita desde los años ochenta hasta la primera década del siglo XXI. En este contexto resultan significativas nuevas imágenes de mujeres acordes con su tiempo histórico, lejos de las representaciones idealizadas de otras épocas.The analysis that we propose is aimed at the images of woman that appear in the poetry written by men. The framework is delimited between the 80’s and the first decade of the 21st century. In this context, the new images of women that comply with their historical period are significant, far from the idealized representations of other ages

The building up of the lyrical subject. A proposal for a didactic action out of the instruction writing

La preocupación del profesorado por encontrar estrategias didácticas que faciliten la interrelación del alumnado con los textos es una constante en el contexto socioeducativo actual. Las actividades de taller de escritura pueden constituir un vínculo interesante para facilitar tanto la lectura e interpretación como la composición y revisión de textos, con el fin último de aumentar la competencia comunicativa del alumnado y contribuir a la formación de lectores y lectoras críticos y creativos. En este sentido proponemos un conjunto de actividades de intervención didáctica en el aula de Lengua Castellana y Literatura, a partir de textos poéticos.The teacher´s concern about tackling didactic strategies that ease the interaction between students and texts is a constant feature in today´s socioeducative panorama. The activities of a writing workshop may make up an interesting link to lead both to the reading and the working-out as well as the composition and checking of texts. All the former will make its contribution to reinforce and enhance the communicative competence of students as well as developing the readers’ skill to be creative and critical. Along those lines, we propose a corpus of activities aiming at a didactic action within the Language and Literature teaching realm, built up out of poetic texts.peerReviewe

Africanos y afro-descendientes en Buenos Aires (1680-1689): esbozo de un estudio sobre fuentes inéditas y publicadas

El presente estudio forma parte de un proyecto de investigación sobre la situación de los afro-porteños durante el siglo XVII a través de la revisión y del análisis de una valiosa fuente inédita -las Escribanías Antiguas (1584-1756)-, y arranca a partir del primer centenario de la fundación de la ciudad de Buenos Aires, examinando ocho tomos correspondientes a la novena década de la centuria, cuyos datos fueron cruzados y completados con los hallados en los Acuerdos del Extinguido Cabildo de Buenos Aires del Archivo General de la Nación del período.Las Escribanías Antiguas constituyen una rica y variada documentación relacionada con diversas escrituras (como por ejemplo, poderes, obligaciones, pagos de legítimas, recibos de dote, donaciones, capellanías y censos, trueques y compraventas de esclavos y tierras, testamentos y codicilos, cartas de libertad, etcétera); sin embargo no es extraño encontrar partes de documentos, a los cuales les falta el principio o el final, y en muchos casos los legajos no están ordenados cronológicamente. Indicando que formaban parte, en un inicio, de acervos que con el tiempo fueron integrados a otros, y éstos a su vez a otros, existen escrituras con varias foliaciones (en algunas se pueden observar hasta cinco). Aparecen, incluso, expedientes correspondientes a otras ciudades del espacio rioplatense. En los documentos transcriptos, además, se ha modernizado -salvo contadas excepciones- la ortografía.En este contexto, estudiamos principalmente la Forma y evolución de la trata de esclavos (comercialización de cautivos, la carimba, los siervos fugados, etc.), la Compraventa de inmuebles urbanos de los afro-porteños, y la Manumisión de esclavos durante la última parte del siglo XVII.Fil: Rosal, Miguel Angel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Saavedra 15. Instituto de Historia Argentina y Americana ; Argentin