Search results for " Applications"
showing 10 items of 4541 documents
Best Practices in Constant pH MD Simulations: Accuracy and Sampling
2022
Various approaches have been proposed to include the effect of pH in molecular dynamics (MD) simulations. Among these, the λ-dynamics approach proposed by Brooks and co-workers [Kong, X.; Brooks III, C. L. J. Chem. Phys.1996, 105, 2414−2423] can be performed with little computational overhead and hfor each typeence be used to routinely perform MD simulations at microsecond time scales, as shown in the accompanying paper [Aho, N. et al. J. Chem. Theory Comput.2022, DOI: 10.1021/acs.jctc.2c00516]. At such time scales, however, the accuracy of the molecular mechanics force field and the parametrization becomes critical. Here, we address these issues and provide the community with guidelines on…
Bayesian semiparametric long memory models for discretized event data
2020
We introduce a new class of semiparametric latent variable models for long memory discretized event data. The proposed methodology is motivated by a study of bird vocalizations in the Amazon rain forest; the timings of vocalizations exhibit self-similarity and long range dependence. This rules out Poisson process based models where the rate function itself is not long range dependent. The proposed class of FRActional Probit (FRAP) models is based on thresholding, a latent process. This latent process is modeled by a smooth Gaussian process and a fractional Brownian motion by assuming an additive structure. We develop a Bayesian approach to inference using Markov chain Monte Carlo and show g…
Developing and testing a discrete event simulation model to evaluate budget impacts of diabetes prevention programs
2020
Type 2 diabetes (T2D) is one of the most rapidly increasing non-communicable diseases worldwide. Lifestyle interventions are effective in preventing T2D but also resource intensive. This study evaluated with discrete event simulation (DES) the relative budget impacts of three hypothetical diabetes prevention programs (DPP), including group-based contact intervention, digital program with human coaching and fully automated program. The data for simulation were derived from research literature and national health and population statistics. The model was constructed using the iGrafx Process for Six Sigma software and simulations were carried out for 10 years. All simulated interventions produc…
Los Mapas contables de gestión de las empresas cotizadas chilenas : análisis cualitativo
2017
espanolEl articulo analiza las clases de gestion realizadas por las empresas cotizadas chilenas localizadas en los espacios administrativos de Chile. La orientacion del analisis realizado considera que el factor cultural de la region donde estan localizadas las empresas chilenas condiciona la clase de gestion desarrollada por dichas empresas. El desarrollo de esta hipotesis se realiza aplicando la metodologia contable de los graficos radiales. Las tensiones existentes entre los periodos medios de maduracion representados en un grafico radial asumen la existencia de un factor cultural en las transacciones realizadas por las empresas en una region y supone que la toma de decision en un area t…
A coupled discontinuous Galerkin-Finite Volume framework for solving gas dynamics over embedded geometries
2021
Author(s): Gulizzi, Vincenzo; Almgren, Ann S; Bell, John B | Abstract: We present a computational framework for solving the equations of inviscid gas dynamics using structured grids with embedded geometries. The novelty of the proposed approach is the use of high-order discontinuous Galerkin (dG) schemes and a shock-capturing Finite Volume (FV) scheme coupled via an $hp$ adaptive mesh refinement ($hp$-AMR) strategy that offers high-order accurate resolution of the embedded geometries. The $hp$-AMR strategy is based on a multi-level block-structured domain partition in which each level is represented by block-structured Cartesian grids and the embedded geometry is represented implicitly by a…
The Use of Question Modification Strategies to Differentiate Instruction in Eritrean Mathematics and Science Classrooms
2023
This qualitative study aimed at examining the question modification strategies Eritrean elementary and middle school teachers used to differentiate their instruction and meet the diversity in the classroom as well as the functions these strategies served in classroom interactions. The research data consisted of videotaped recordings (N = 11 videotaped lessons) of classroom interactions in eight mathematics and science classrooms, which were analysed through interaction analysis. The findings showed that Eritrean teachers utilised the following five question modification strategies either independently or in combination: repetition; rephrasing; clarification; decomposition; and code-switchin…
A Novel Bio-Inspired Approach for High-Performance Management in Service-Oriented Networks
2021
Service-continuity in distributed computing can be enhanced by designing self-organized systems, with a non-fixed structure, able to modify their structure and organization, as well as adaptively react to internal and external environment changes. In this paper, an architecture exploiting a bio-inspired management approach, i.e., the functioning of cell metabolism, for specialized computing environments in Service-Oriented Networks (SONs) is proposed. Similar to the processes acting in metabolic networks, the nodes communicate to each other by means of stimulation or suppression chains giving rise to emergent behaviors to defend against foreign invaders, attacks, and malfunctioning. The mai…
How Relevant Are Risk Perceptions, Effort, and Performance Expectancy in Mobile Banking Adoption?
2018
This article provides a comprehensive overview of the adoption process using evidence from m-banking adoption in Pakistan. A survey design was used and 189 responses were received from across Pakistan and analyzed using Smart PLS application. Findings suggest that research on the effect of risk in the adoption process remains inconclusive. Contrarily, consumers have overcome many fears due to the usefulness, indispensability, high security features, and effort expended in the use of financial services delivered through m-banking. Perceived risk's (PR) direct influence was found to be generally weak. However, PR plays a major role in the pre-adoption process because it's weak and direct inhi…
Augmented Reality Applications: The Impact of Usability and Emotional Perceptions on Tourists’ App Experiences
2019
There is a rising amount of research contributing to the knowledgebase of Augmented Reality (AR) application usage. However, up until now there is no sound understanding about how the emotional perception of AR application users impact on different types of experience. This paper aspires to contribute to this gap by analysing the link between usability, emotional perception (i.e. entertainment, playfulness and enjoyment), two types of experience viz. action- and emotional experience and users’ intention to use the app in a travel context. 796 questionnaires show that emotional experience is driven by entertainment while action experience is mainly triggered by playfulness. However, only emo…
La influencia del medio televisivo en el proceso de socialización de la infancia
2008
El presente artículo trata de abordar la complejidad de la influencia del vi- sionado televisivo en el proceso de socialización de la infancia. Para ello, analizamos los presupuestos teóricos que están a la base de dicho proceso, profundizamos en el pa- pel que desempeña la televisión como agencia socializadora de la infancia al tiempo que centramos nuestra atención en las implicaciones pedagógicas para dicho periodo evolu- tivo. El artículo concluye con una serie de reflexiones pedagógicas y propuestas de me- jora que pretenden contribuir a la optimización de la realidad educativa.