1,872 research outputs found
pyQChem - Input/Output-Tools for Q-Chem
No full textPyQChem is a Python module designed for an intuitive manipulation of Q-Chem input and output files. It was written with special focus on the features of IPython such as tab completion and easy access to help docstrings via the question mark operator.
On the input side, the module supports batch jobfiles, simplified editing of molecular geometries, and comes with a large library of $rem keywords accessible via tab completion. Besides allowing to set up an entire inputfile within Python (which is very convenient in case of repeated tasks e.g. for building databases), the module can also schedule and execute Q-Chem files if the main program is installed on the same machine or accessible via a server.
On the output side, pyQChem performs an automatic parsing of single or multi-job Q-Chem output files and stores the information it finds in conveniently structured objects. If frequencies are found in the output file, thermochemistry information can be calculated a posteriori for any temperature or pressure of interest. A correction for low-lying vibrational frequencies [Grimme, Chemistry - A European Journal 2012, 18, 9955-9964] can be automatically included if desired. The module further contains a large library of standard molecular test sets and a collection of typical physical constants and conversion factors as they are often needed in computational chemistry.
Use conda to add the latest release of pqQChem to your environment (recommended),
conda install -c awhauser pyqchem
or clone and install the current Github development version via
git clone https://github.com/hauser-group/pyQChem.git
cd pyQChem
pip install .
Two IPython notebooks (and support files) are provided as an introduction to basic inputfile handling and outputfile parsing. Example Python scripts that use pyQChem can be found in the 'demos' directory.
Note that the Q-Chem computational chemistry package itself is proprietary software and obviously not part of this python module. For more details, please have a look at the Q-Chem homepage.
Andreas W. Hauser, Matthew Goldey, Ehud Tsivion, Ralf Meyer and Thomas Heave
Projective uniformization revisited
No full textAbstractWe give an optimal lower bound in terms of large cardinal axioms for the logical strength of projective uniformization (i.e., the assumption that for any projective set in the real plane there exists a projectively definable function selecting an element from each section of the given set) in conjuction with other regularity properties of projective sets of real numbers, namely Lebesgue measurability and its dual in the sense of category (the property of Baire). Our proof uses a projective computation of the real numbers which code inital segments of a core model and answers a question in Hauser (1995)
iKP -- A Family of Secure Electronic Payment Protocols
No full textMihir Bellare y , Juan A. Garay y , Ralf Hauser z , Amir Herzberg y , Hugo Krawczyk y , Michael Steiner z , Gene Tsudik z , Michael Waidner z July 12, 1995 Abstract This paper proposes a family of protocols -- iKP (i = 1; 2; 3) -- for secure electronic payments over the Internet. The protocols implement credit card-based transactions between the customer and the merchant while using the existing financial network for clearing and authorization. The protocols can be extended to apply to other payment models, such as debit cards and electronic checks. They are based on public-key cryptography and can be implemented in either software or hardware. Individual protocols differ in key management complexity and degree of security. It is intended that their deployment be gradual and incremental. The iKP protocols are presented herein with the intention to serve as a starting point for eventual standards on secure electronic payment. The most recent version of this document is..
Cultural representation of sexual dissent in comics: the "desired men" of Ralf König in Der bewegte Mann
Full text linkEn este artículo se abordará la representación de la sexualidad disidente en una de las obras inaugurales de Ralf König, el ciclo Der bewegte Mann, constituido por dos partes publicadas en los años ochenta y que nos permiten apreciar la emergencia del autor en el mercado editorial alemán, así como sus operaciones de resistencia ante los intentos de normalización y represión por parte de la heteronormatividad.In this article, the representation of sexual dissent in German author Ralf König will be adressed. The work analize the cycle Der bewegte Mann, consisting of two parts published in the eighties and that allows us to appreciate the emergence of the author in the german publishing, as well as its operations of resistance to the attempts of normalization and repression by heteronormativity.Fil: Saxe, Facundo. Universidad Nacional de La Plata. Facultad de Humanidades y Ciencias de la Educación. Instituto de Investigaciones en Humanidades y Ciencias Sociales (UNLP-CONICET); Argentina
Representación cultural de la disidencia sexual en el cómic: los «hombres deseados» de Ralf König en Der bewegte Mann
Full text linkEn este artículo se abordará la representación de la sexualidad disidente en una de las obras inaugurales de Ralf König, el ciclo Der bewegte Mann, constituido por dos partes publicadas en los años ochenta y que nos permiten apreciar la emergencia del autor en el mercado editorial alemán, así como sus operaciones de resistencia ante los intentos de normalización y represión por parte de la heteronormatividad.In this article, the representation of sexual dissent in German author Ralf König will be adressed. The work analize the cycle Der bewegte Mann, consisting of two parts published in the eighties and that allows us to appreciate the emergence of the author in the german publishing, as well as its operations of resistance to the attempts of normalization and repression by heteronormativity.Facultad de Humanidades y Ciencias de la Educació
Sexuellen Dissidenz and Comic im Werk von Ralf König
Full text linkRalf König es un autor de importancia innegable para la historieta alemana desde los años ochenta al presente. El abordaje programático y sistemático de la sexualidad disidente en sus vertientes más subversivas convierten la obra de König en un conjunto de textos culturales que constituyen una suerte de "historias culturales" de los devenires de la disidencia sexual en las últimas tres décadas en el contexto europeo. Este artículo analiza dos obras de Ralf König (Kondom des Grauens, 1987; Bis auf die Knochen, 1990) que constituyen un ciclo que permiten pensar el diálogo que establece la obra de König con la crisis del VIH-Sida, la pornografía gay, la violencia y discriminación sobre las sexualidades disidentes, la influencia del movimiento queer y el colectivo LGBTIQ norteamericano en Alemania, entre otras cuestiones.Ralf König has been an author of an undeniable importance for the German comic since the 1980s. The programmatic and systematic approach to dissident sexuality in its most subversive aspects makes König's work a set of cultural texts that stand as some sort of "cultural histories" of the progressions of sexual dissidence in the last three decades in the European context. This article analyzes two works by Ralf König (Kondom des Grauens, 1987; Bis auf die Knochen, 1990) which constitute a cycle that allows us to ponder on the dialogue established by König's works with the HIV-AIDS crisis, gay pornography, violence and discrimination towards dissident sexualities, the influence of the queer movement and the American LGBTIQ collective in Germany, among other issues.Facultad de Humanidades y Ciencias de la Educació
Eelco Visser - An Exceptional SLE Researcher
Full text linkThese notes honor Eelco Visser as an exceptional member of the Software Language Engineering (SLE) community. The notes are authored from the perspective of an SLE co-founder and a continuous SLE supporter. As an inevitable side effect, a short history of SLE is captured. The commemoration begins with Eelco’s role in launching the SLE conference. The commemoration continues with Eelco’s contributions as an author and his involvement with running the conference and working towards an SLE Body of Knowledge (SLEBoK). The commemoration ends with recalling Eelco’s role as the de-facto SLE photographer
Sexuellen Dissidenz and Comic im Werk von Ralf König
Full text linkRalf König es un autor de importancia innegable para la historieta alemana desde los años ochenta al presente. El abordaje programático y sistemático de la sexualidad disidente en sus vertientes más subversivas convierten la obra de König en un conjunto de textos culturales que constituyen una suerte de "historias culturales" de los devenires de la disidencia sexual en las últimas tres décadas en el contexto europeo. Este artículo analiza dos obras de Ralf König (Kondom des Grauens, 1987; Bis auf die Knochen, 1990) que constituyen un ciclo que permiten pensar el diálogo que establece la obra de König con la crisis del VIH-Sida, la pornografía gay, la violencia y discriminación sobre las sexualidades disidentes, la influencia del movimiento queer y el colectivo LGBTIQ norteamericano en Alemania, entre otras cuestiones.Ralf König has been an author of an undeniable importance for the German comic since the 1980s. The programmatic and systematic approach to dissident sexuality in its most subversive aspects makes König’s work a set of cultural texts that stand as some sort of “cultural histories” of the progressions of sexual dissidence in the last three decades in the European context. This article analyzes two works by Ralf König (Kondom des Grauens, 1987; Bis auf die Knochen, 1990) which constitute a cycle that allows us to ponder on the dialogue established by König’s works with the HIV-AIDS crisis, gay pornography, violence and discrimination towards dissident sexualities, the influence of the queer movement and the American LGBTIQ collective in Germany, among other issues.Ralf König ist seit den achtziger Jahren ein Autor unbestrittener Bedeutung für den deutschen Comic. Seine programmatische und systematische Befassung mit der dissidenten Sexualität in ihren subversivsten Aspekten macht Königs Werk zu einer Gesamtheit kultureller Texte, die eine Art "kultureller Geschichten" der Entwicklung der sexuellen Dissidenz in den letzten drei Jahrzehnten im europäischen Kontext darstellen. Dieser Artikel untersucht zwei Werke von Ralf König (Kondom des Grauens, 1987; Bis auf die Knochen, 1990), die einen Zyklus bilden, durch den u.a. die Beziehung von Königs Werk zur HIV-AIDS-Krise, zur Schwulen-Pornographie, zur Gewalt und zur Diskriminierung gegenüber der dissidenten Sexualitäten und zum Einfluss der Queer-Bewegung und der nordamerikanischen LGBTIQ-Community in Deutschland analysiert werden kann.Fil: Saxe, Facundo Nazareno. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones en Humanidades y Ciencias Sociales. Universidad Nacional de La Plata. Facultad de Humanidades y Ciencias de la Educación. Instituto de Investigaciones en Humanidades y Ciencias Sociales; Argentin
The Death of the Legal Author: Authority, Intention, and Law-Creation in the Advent of GenAI
No full textGenerative artificial intelligence in the form of chatbots based on
large language models (LLMs) has taken the world of law by storm. Philosophy of
law is struggling to catch up with the theoretical significance of the advent of
technological development and the way it may modify traditionally established
understanding of legal phenomena, such as law-creation and authority. In this
sense, for the most part, heated philosophical debates have circled around a
normative question: ‘Should AI create and interpret law?’. Much less attention has
been given to a different, albeit previous, question: ‘Can AI create and interpret law?’
That is, is AI capable of producing outputs that can be deemed as ‘law’ (at least, law as
we know it)? Can AI be a ‘legal author’? This paper explores this unattended question
and endeavours to provide some provisional answers. In the first part, we define legal
authority, legal authorship, and legal interpretation and claim that the intention of a
determinate authoritative author is often considered the condition of the possibility
of creating and interpreting contemporary legal texts. In the second part, we argue
that LLM AI, in general, and ChatGPT, in particular, generate legal texts without
having any intention. In the third part, we consider the positions of the authors that
downplay or even eliminate intention from the discussions about the legal character
of prescriptive texts. 4. Finally, we argue that there are good reasons to side with the
second group of authors. The ability of agents without intentions, like ChatGPT, to
create legal text is an argument in favour of the thesis that law can be created without
intention behind the creation and that nonintentional creation can be interpreted to
arrive at legal norms
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