Search results for "computational"
showing 10 items of 5884 documents
A distributed visualization system for crowd simulations1
2011
The visualization system of large-scale crowd simulations should scale up with both the number of visuals views of the virtual world and the number of agents displayed in each visual. Otherwise, we could have large scale crowd simulations where only a small percentage of the population is displayed. Several approaches have been proposed in order to efficiently render crowds of animated characters. However, these approaches either render crowds animated with simple behaviors or they can only support a few hundreds of user-driven entities. In this paper, we propose a distributed visualization system for large crowds of autonomous agents that allows the visualization of crowds animated with co…
Theoretical study of selective H3 receptor antagonists of histamine
1993
Abstract The conformations and charge distributions of three selective H3 receptor antagonists of histamine were determined using the MNDO approach. The results suggest that the conformational flexibilities of betahistine, N α-(2-phenylacetyl)histamine and thioperamide are different; however, the low-energy conformations of these compounds show closely related spatial orderings. The MNDO calculations predict a significant population of the N1H form in the imidazole systems of N α-(2-phenylacetyl)histamine and thioperamide. Our results indicate that the conformational behaviour of H3 antagonists is closely similar to that reported for H2 antagonists of histamine. These results emphasize the …
First-principles calculations on surface hydroxyl impurities in BaF2
2012
Abstract OH − impurities located near the (1 1 1) BaF 2 surface have been studied by using density functional theory (DFT) with hybrid exchange potentials, namely DFT-B3PW. Twenty surface OH − configurations were studied, and the hydroxyls located on the first surface layer are the energetically most favorable configurations. For the (1 1 1) BaF 2 surface atomic layers, the surface hydroxyls lead to a remarkable XY -translation and a dilating effect in the Z -direction, overcoming the surface shrinking effect in the perfect slab. Bond population analysis shows that the surface effect strengthens the covalency of surface OH − impurities. The studies on band structures and density of states (…
On the role of the triplet state in the cis/trans isomerization of rhodopsin: A CASPT2//CASSCF study of a model chromophore
2011
The possibility of population of the lowest-lying triplet state (T1) in the early events of the photochemical isomerization process of a model chromophore of Rhodopsin (Rh) has been analyzed using multireference perturbation theory (CASPT2//CASSCF) methods. It is shown that the characteristics of the isomerization process namely small S1−T1 gap, presence of hydrogen out of plane active vibrational modes, and existence of a dense manifold of vibrational states, render possible the fulfilment of the conditions needed for the population of T1. The possible consequences for the photochemistry and photophysics of Rh are also discussed. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem 111:3431–3…
Parsimonious scenario for the emergence of viroid-like repliconsde novo
2019
AbstractViroids are small, non-coding, circular RNA molecules that infect plants. Different hypotheses for their evolutionary origin have been put forward, such as an early emergence in a precellular RNA World or severalde novoindependent evolutionary origins in plants. Here we discuss the plausibility ofde novoemergence of viroid-like replicons by giving theoretical support to the likelihood of different steps along a parsimonious evolutionary pathway. While Avsunviroidae-like structures are relatively easy to obtain through evolution of a population of random RNA sequences of fixed length, rod-like structures typical of Pospiviroidae are difficult to fix. Using different quantitative appr…
Thermographic quantitative variables for diabetic foot assessment: preliminary results
2018
The aim of this study was to define aspects of a protocol for a diabetic population by obtaining and evaluating thermographic images following thermal stress (cooling of the sole of the foot with c...
Educational Robotics: Evaluating the Role of Computational Thinking in Attaining 21st Century Skills
2022
Abstract Educational Robotics (ER) has gained prominence in the literature on Computational Thinking (CT) because of its modularity, a feature that potentially facilitates the development of abstract thinking through complex robotic parts. The field of robotics encompasses the characteristics of technology, intelligence, embodiment, and interaction, and these characteristics can serve as means of instruction for CT. Essential 21st Century Skills include decomposition, pattern recognition, abstraction, and the use of algorithms; which are fundamental to effective problem-solving skills. Although CT is believed to be the key to developing 21st Century Skills, its role in doing so is significa…
Computational Thinking Development: Benefiting from Educational Robotics in STEM Teaching
2022
<p style="text-align: justify;">The delivery of science, technology, engineering and mathematics (STEM) learning to improve an individual’s competence and future career interests has become a critical scientific undertaking for teachers and researchers alike. A plethora of research has proposed various hands-on robotics activities built on constructivist theories, thereby facilitating the development of knowledge based on reality for scientific and non-scientific stakeholders. Robotics may become an essential focus point within technology provision, which is an essential underlying characteristic for the seminal development of computational thinking (CT). However, despite the potentia…
Algorithms and Logic as Programming Primers
2019
To adapt all-immersive digitalization, the Finnish National Curriculum 2014 (FNC-2014) ‘digi-jumps’ by integrating programming into elementary education. However, applying the change to mathematics teachers’ everyday praxis is hindered by a too high-level specification. To elaborate FNC-2014 into more concrete learning targets, we review the computer science syllabi of countries that are well ahead, as well as the education recommendations set by computer science organizations, such as ACM and IEEE. The whole mathematics syllabus should be critically viewed in the light of these recommendations and feedback collected from software professionals and educators. The feedback reveals an imbalan…
Multipactor radiation analysis within a waveguide region based on a frequency-domain representation of the dynamics of charged particles
2009
[EN] A technique for the accurate computation of the electromagnetic fields radiated by a charged particle moving within a parallel-plate waveguide is presented. Based on a transformation of the time-varying current density of the particle into a time-harmonic current density, this technique allows the evaluation of the radiated electromagnetic fields both in the frequency and time domains, as well as in the near- and far-field regions. For this purpose, several accelerated versions of the parallel-plate Green's function in the frequency domain have been considered. The theory has been successfully applied to the multipactor discharge occurring within a two metal-plates region. The proposed…