University of Coimbra

About: University of Coimbra is a education organization based out in Coimbra, Portugal. It is known for research contribution in the topics: Population & Mitochondrion. The organization has 14318 authors who have published 43067 publications receiving 994733 citations. The organization is also known as: UC & Universidade dos Estudos Gerais.

Time-dependent density-functional theory in massively parallel computer architectures: the octopus project

Abstract: Octopus is a general-purpose density-functional theory (DFT) code, with a particular emphasis on the time-dependent version of DFT (TDDFT). In this paper we present the ongoing efforts to achieve the parallelization of octopus. We focus on the real-time variant of TDDFT, where the time-dependent Kohn-Sham equations are directly propagated in time. This approach has great potential for execution in massively parallel systems such as modern supercomputers with thousands of processors and graphics processing units (GPUs). For harvesting the potential of conventional supercomputers, the main strategy is a multi-level parallelization scheme that combines the inherent scalability of real-time TDDFT with a real-space grid domain-partitioning approach. A scalable Poisson solver is critical for the efficiency of this scheme. For GPUs, we show how using blocks of Kohn-Sham states provides the required level of data parallelism and that this strategy is also applicable for code optimization on standard processors. Our results show that real-time TDDFT, as implemented in octopus, can be the method of choice for studying the excited states of large molecular systems in modern parallel architectures.

Efficiency Analysis of Drive Train Topologies Applied to Electric/Hybrid Vehicles

Abstract: One of the most important research topics in drive train topologies applied to electric/hybrid vehicles is the efficiency analysis of the power train components, including the global drive efficiency. In this paper, two basic traction electric drive systems of electric/hybrid vehicles are presented and evaluated, with a special focus on the efficiency analysis. The first topology comprises a traditional pulsewidth-modulation (PWM) battery-powered inverter, whereas in the second topology, the battery is connected to a bidirectional dc-dc converter, which supplies the inverter. Furthermore, a variable-voltage control technique applied to this second topology is presented, which allows for the improvement of the drive overall performance. Some simulation results are presented, considering both topologies and a permanent-magnet synchronous motor (PMSM). An even more detailed analysis is performed through the experimental validation. Particular attention is given to the evaluation of the main drive components efficiency, including the global drive efficiency, presented in the form of efficiency maps. Other parameters such as motor voltage distortion and power factor are also considered. In addition, the comparison of the two topologies takes into account the drive operation under the motoring and regenerative-braking modes.

Preferred Interpersonal Distances: A Global Comparison

Abstract: Human spatial behavior has been the focus of hundreds of previous research studies. However, the conclusions and generalizability of previous studies on interpersonal distance preferences were limited by some important methodological and sampling issues. The objective of the present study was to compare preferred interpersonal distances across the world and to overcome the problems observed in previous studies. We present an extensive analysis of interpersonal distances over a large data set (N = 8,943 participants from 42 countries). We attempted to relate the preferred social, personal, and intimate distances observed in each country to a set of individual characteristics of the participants, and some attributes of their cultures. Our study indicates that individual characteristics (age and gender) influence interpersonal space preferences and that some variation in results can be explained by temperature in a given region. We also present objective values of preferred interpersonal distances in different regions, which might be used as a reference data point in future studies.

Descent approaches for quadratic bilevel programming

Abstract: The bilevel programming problem involves two optimization problems where the data of the first one is implicitly determined by the solution of the second. In this paper, we introduce two descent methods for a special instance of bilevel programs where the inner problem is strictly convex quadratic. The first algorithm is based on pivot steps and may not guarantee local optimality. A modified steepest descent algorithm is presented to overcome this drawback. New rules for computing exact stepsizes are introduced and a hybrid approach that combines both strategies is discussed. It is proved that checking local optimality in bilevel programming is a NP-hard problem.