Second-order Møller-Plesset perturbation theory without basis set superposition error : II : open-shell systems

The basis set superposition error-free second-order MØller-Plesset perturbation theory of intermolecular interactions was studied. The difficulties of the counterpoise (CP) correction in open-shell systems were also discussed. The calculations were performed by a program which was used for testing the new variants of the theory. It was shown that the CP correction for the diabatic surfaces should be preferred to the adiabatic ones

Multipartite quantum correlations in open quantum systems

In this paper, we present a measure of quantum correlation for a multipartite system, defined as the sum of the correlations for all possible partitions. Our measure can be defined for quantum discord (QD), geometric quantum discord or even for entanglement of formation (EOF). For tripartite pure states, we show that the multipartite measures for the QD and the EOF are equivalent, which allows direct comparison of the distribution and the robustness of these correlations in open quantum systems. We study dissipative dynamics for two distinct families of entanglement: a W state and a GHZ state. We show that, for the W state, the QD is more robust than the entanglement, while for the GHZ state, this is not true. It turns out that the initial genuine multipartite entanglement present in the GHZ state makes the EOF more robust than the QD. © IOP Publishing and Deutsche Physikalische Gesellschaft.

El Open Journal Systems en la Universidade de São Paulo: la experiencia de gestión del Portal de Revistas da USP

El objeto de este poster es presentar la experiencia de manejamiento de un portal de revistas científicas de acceso abierto, en una universidad pública y que integra los editores científicos, profesores y bibliotecarios. Iniciativas de esta naturaleza tienen importancia estratégica para la consolidación y el fortalecimiento del Movimiento de Acceso Abierto en los países en desarrollo, puesto que ofrecen la oportunidad de se vivir plenamente una cultura de acceso abierto en todas las etapas de certificación del conocimiento. La experiencia de la Universidade de São Paulo, se convierte en relevante, ya que promueve la integración de los diversos actores involucrados en la producción de revistas científicas. El Portal de Revistas da USP (http://www.revistas.usp.br), lanzado en 2008, es una iniciativa del Departamento Técnico do Sistema Integrado de Bibliotecas de USP que tiene el Programa de Apoio às Publicações Científicas Periódicas da USP. Esta iniciativa, basada en los principios del Movimiento de Acceso Abierto, tiene como objetivo promover la visibilidad y la accesibilidad de las revistas científicas publicadas oficialmente por la USP. Considerase que las revistas cumplen con un doble papel, como objeto y también vehículo de comunicación. Con esto las inversiones para calificación de las revistas incluyen recursos informáticos para garantizar la interoperabilidad entre distintos sistemas de información (bases de datos, catálogos, repositorios etc.), sistemas de gestión editorial en línea (para agilizar la tramitación de los manuscritos y la disminución de la publicación); la formación de los equipos (técnicos y bibliotecarios), atribuición de nomes DOI (digital object identifier), software de verificación de plágio. En 2012 se cambió el software de gestión del Portal para Open Journal Systems - OJS por lo cual se reunió por la primera vez, en um mismo dominio web las revistas científicas editadas en USP. De las más de 100 revistas publicadas en el Portal 29 están en DOAJ, 27 en SciELO Brasil, 20 en Scopus, 11 en JCR entre outros. En el Portal hay revistas con distintos perfiles, unas más institucionales y otras de calidad internacional. Algunas revistas más antíguas y consolidadas se utilizan de distintos sistemas de gestión de los manuscriptos y en el Portal es como un espejo para garantizar la presencia en la Universidad. Con tantas y tan distintas publicaciones el OJS se presenta como una promisora herramienta para la gestión del Portal de Revistas. El OJS surge como un sistema para la gestión individual de revistas científicos y con los avances de las tecnologías y principalmente del uso por la comunidad se conviertió en herramienta de gestión de Portal. Para una mejor gestión del Portal se presenta algunas recomendaciones, basadas en la experiencia, y que podrán mejorar el trabajo de gestión del conjunto de las revistas: en la pantalla de creación de revistas se deberá incluir todos los datos del registro oficial en ISSN, sin posibilidad de edición por los editores-gerentes; en el listado general de revistas se podría incluir una indicación de las revistas que están en línea y las que están aún en configuración; clara identificación de las revistas vigentes y no-vigentes, una vinculación mas clara de las revistas que cambiaran su título y que están vigentes; una tabla para selección de fuentes de indización; edición de contenidos ya publicados solamente por el administrador del sistema; gestión centralizada del DOI y de la preservación digital en LOCKSS y un painel con los datos estadísticos (total de revistas, ediciones, estatísticas Counter, autores etc). Además el fortalecimiento y creación de centros de desarrollo de OJS en las Universidades Latinoamericanas podría impulsionar el uso del sistema en su totalidad por los editores de la región.

Digital Systems for Open Access to Formal and Informal Learning

Today, Digital Systems and Services for Technology Supported Learning and Education are recognized as the key drivers to transform the way that individuals, groups and organizations “learn” and the way to “assess learning” in 21st Century. These transformations influence: Objectives - moving from acquiring new “knowledge” to developing new and relevant “competences”; Methods – moving from “classroom” based teaching to “context-aware” personalized learning; and Assessment – moving from “life-long” degrees and certifications to “on-demand” and “in-context” accreditation of qualifications. Within this context, promoting Open Access to Formal and Informal Learning, is currently a key issue in the public discourse and the global dialogue on Education, including Massive Open Online Courses (MOOCs) and Flipped School Classrooms. This volume on Digital Systems for Open Access to Formal and Informal Learning contributes to the international dialogue between researchers, technologists, practitioners and policy makers in Technology Supported Education and Learning. It addresses emerging issues related with both theory and practice, as well as, methods and technologies that can support Open Access to Formal and Informal Learning. In the twenty chapters contributed by international experts who are actively shaping the future of Educational Technology around the world, topics such as: - The evolution of University Open Courses in Transforming Learning - Supporting Open Access to Teaching and Learning of People with Disabilities - Assessing Student Learning in Online Courses - Digital Game-based Learning for School Education - Open Access to Virtual and Remote Labs for STEM Education - Teachers’ and Schools’ ICT Competence Profiling - Web-Based Education and Innovative Leadership in a K-12 International School Setting are presented. An in-depth blueprint of the promise, potential, and imminent future of the field, Digital Systems for Open Access to Formal and Informal Learning is necessary reading for researchers and practitioners, as well as, undergraduate and postgraduate students, in educational technology.

Open Data and Earth Observations The Case of Opening Up Access to and Use of Earth Observation Data Through the Global Earth Observation System of Systems

Earth observations (EO) represent a growing and valuable resource for many scientific, research and practical applications carried out by users around the world. Access to EO data for some applications or activities, like climate change research or emergency response activities, becomes indispensable for their success. However, often EO data or products made of them are (or are claimed to be) subject to intellectual property law protection and are licensed under specific conditions regarding access and use. Restrictive conditions on data use can be prohibitive for further work with the data. Global Earth Observation System of Systems (GEOSS) is an initiative led by the Group on Earth Observations (GEO) with the aim to provide coordinated, comprehensive, and sustained EO and information for making informed decisions in various areas beneficial to societies, their functioning and development. It seeks to share data with users world-wide with the fewest possible restrictions on their use by implementing GEOSS Data Sharing Principles adopted by GEO. The Principles proclaim full and open exchange of data shared within GEOSS, while recognising relevant international instruments and national policies and legislation through which restrictions on the use of data may be imposed.The paper focuses on the issue of the legal interoperability of data that are shared with varying restrictions on use with the aim to explore the options of making data interoperable. The main question it addresses is whether the public domain or its equivalents represent the best mechanism to ensure legal interoperability of data. To this end, the paper analyses legal protection regimes and their norms applicable to EO data. Based on the findings, it highlights the existing public law statutory, regulatory, and policy approaches, as well as private law instruments, such as waivers, licenses and contracts, that may be used to place the datasets in the public domain, or otherwise make them publicly available for use and re-use without restrictions. It uses GEOSS and the particular characteristics of it as a system to identify the ways to reconcile the vast possibilities it provides through sharing of data from various sources and jurisdictions on the one hand, and the restrictions on the use of the shared resources on the other. On a more general level the paper seeks to draw attention to the obstacles and potential regulatory solutions for sharing factual or research data for the purposes that go beyond research and education.

Real-time simulation of large open quantum spin systems driven by dissipation

We consider a large quantum system with spins 12 whose dynamics is driven entirely by measurements of the total spin of spin pairs. This gives rise to a dissipative coupling to the environment. When one averages over the measurement results, the corresponding real-time path integral does not suffer from a sign problem. Using an efficient cluster algorithm, we study the real-time evolution from an initial antiferromagnetic state of the two-dimensional Heisenberg model, which is driven to a disordered phase, not by a Hamiltonian, but by sporadic measurements or by continuous Lindblad evolution.

Real-time dynamics of open quantum spin systems driven by dissipative processes

We study the real-time evolution of large open quantum spin systems in two spatial dimensions, whose dynamics is entirely driven by a dissipative coupling to the environment. We consider different dissipative processes and investigate the real-time evolution from an ordered phase of the Heisenberg or XY model towards a disordered phase at late times, disregarding unitary Hamiltonian dynamics. The corresponding Kossakowski-Lindblad equation is solved via an efficient cluster algorithm. We find that the symmetry of the dissipative process determines the time scales, which govern the approach towards a new equilibrium phase at late times. Most notably, we find a slow equilibration if the dissipative process conserves any of the magnetization Fourier modes. In these cases, the dynamics can be interpreted as a diffusion process of the conserved quantity.

Real-time simulation of nonequilibrium transport of magnetization in large open quantum spin systems driven by dissipation

Using quantum Monte Carlo, we study the nonequilibrium transport of magnetization in large open strongly correlated quantum spin-12 systems driven by purely dissipative processes that conserve the uniform or staggered magnetization, disregarding unitary Hamiltonian dynamics. We prepare both a low-temperature Heisenberg ferromagnet and an antiferromagnet in two parts of the system that are initially isolated from each other. We then bring the two subsystems in contact and study their real-time dissipative dynamics for different geometries. The flow of the uniform or staggered magnetization from one part of the system to the other is described by a diffusion equation that can be derived analytically.

Idea relationship analysis in open innovation crowdsourcing systems

Idea Management Systems are an implementation of open innovation notion in the Web environment with the use of crowdsourcing techniques. In this area, one of the popular methods for coping with large amounts of data is duplicate de- tection. With our research, we answer a question if there is room to introduce more relationship types and in what degree would this change affect the amount of idea metadata and its diversity. Furthermore, based on hierarchical dependencies between idea relationships and relationship transitivity we propose a number of methods for dataset summarization. To evaluate our hypotheses we annotate idea datasets with new relationships using the contemporary methods of Idea Management Systems to detect idea similarity. Having datasets with relationship annotations at our disposal, we determine if idea features not related to idea topic (e.g. innovation size) have any relation to how annotators perceive types of idea similarity or dissimilarity.

An open-source simulation tool of grid-connected PV systems.

This paper will present an open-source simulation tool, which is being developed in the frame of an European research project1. The tool, whose final version will be freely available through a website, allows the modelling and the design of different types of grid-connected PV systems, such as large grid-connected plants and building-integrated installations. The tool is based on previous software developed by the IES-UPM2, whose models and energy losses scenarios have been validated in the commissioning of PV projects3 carried out in Spain, Portugal, France and Italy, whose aggregated capacity is nearly 300MW. This link between design and commissioning is one of the key points of tool presented here, which is not usually addressed by present commercial software. The tool provides, among other simulation results, the energy yield, the analysis and breakdown of energy losses, and the estimations of financial returns adapted to the legal and financial frameworks of each European country. Besides, educational facilities will be developed and integrated in the tool, not only devoted to learn how to use this software, but also to train the users on the best design PV systems practices. The tool will also include the recommendation of several PV community experts, which have been invited to identify present necessities in the field of PV systems simulation. For example, the possibility of using meteorological forecasts as input data, or modelling the integration of large energy storage systems, such as vanadium redox or lithium-ion batteries. Finally, it is worth mentioning that during the verification and testing stages of this software development, it will be also open to the suggestions received from the different actors of the PV community, such as promoters, installers, consultants, etc.

A Reliable Open-Source System Architecture for the Fast Designing and Prototyping of Autonomous Multi-UAV Systems: Simulation and Experimentation

During the process of design and development of an autonomous Multi-UAV System, two main problems appear. The first one is the difficulty of designing all the modules and behaviors of the aerial multi-robot system. The second one is the difficulty of having an autonomous prototype of the system for the developers that allows to test the performance of each module even in an early stage of the project. These two problems motivate this paper. A multipurpose system architecture for autonomous multi-UAV platforms is presented. This versatile system architecture can be used by the system designers as a template when developing their own systems. The proposed system architecture is general enough to be used in a wide range of applications, as demonstrated in the paper. This system architecture aims to be a reference for all designers. Additionally, to allow for the fast prototyping of autonomous multi-aerial systems, an Open Source framework based on the previously defined system architecture is introduced. It allows developers to have a flight proven multi-aerial system ready to use, so that they can test their algorithms even in an early stage of the project. The implementation of this framework, introduced in the paper with the name of “CVG Quadrotor Swarm”, which has also the advantages of being modular and compatible with different aerial platforms, can be found at https://​github.​com/​Vision4UAV/​cvg_​quadrotor_​swarm with a consistent catalog of available modules. The good performance of this framework is demonstrated in the paper by choosing a basic instance of it and carrying out simulation and experimental tests whose results are summarized and discussed in this paper.

Extension of the thermodynamics of small systems to open metastable states: An example

By using a simplified model of small open liquid-like clusters with surface effects, in the gas phase, it is shown how the statistical thermodynamics of small systems can be extended to include metastable supersaturated gaseous states not too far from the gas–liquid equilibrium transition point. To accomplish this, one has to distinguish between mathematical divergence and physical convergence of the open-system partition function.

A comparative study of open domain and opinion question answering systems for factual and opinionated queries

The development of the Web 2.0 led to the birth of new textual genres such as blogs, reviews or forum entries. The increasing number of such texts and the highly diverse topics they discuss make blogs a rich source for analysis. This paper presents a comparative study on open domain and opinion QA systems. A collection of opinion and mixed fact-opinion questions in English is defined and two Question Answering systems are employed to retrieve the answers to these queries. The first one is generic, while the second is specific for emotions. We comparatively evaluate and analyze the systems’ results, concluding that opinion Question Answering requires the use of specific resources and methods.