130 research outputs found
An "All Hands" Call to the Social Science Community: Establishing a Community Framework for Complexity Modeling Using Agent Based Models and Cyberinfrastructure
No full textTo date, many communities of practice (COP) in the social sciences have been struggling with how to deal with rapidly growing bodies of information. Many CoPs across broad disciplines have turned to community frameworks for complexity modeling (CFCMs) but this strategy has been slow to be discussed let alone adopted by the social sciences communities of practice (SS-CoPs). In this paper we urge the SS-CoPs that it is timely to develop and establish a CBCF for the social sciences for two major reasons: the rapid acquisition of data and the emergence of critical cybertools which can facilitate agent-based, spatially-explicit models. The goal of this paper is not to prescribe how a CFCM might be set up but to suggest of what components it might consist and what its advantages would be. Agent based models serve the establishment of a CFCM because they allow robust and diverse inputs and are amenable to output-driven modifications. In other words, as phenomena are resolved by a SS-CoP it is possible to adjust and refine ABMs (and their predictive ability) as a recursive and collective process. Existing and emerging cybertools such as computer networks, digital data collections and advances in programming languages mean the SS-CoP must now carefully consider committing the human organization to enabling a cyberinfrastructure tool. The combination of technologies with human interfaces can allow scenarios to be incorporated through 'if' 'then' rules and provide a powerful basis for addressing the dynamics of coupled and complex social ecological systems (cSESs). The need for social scientists to be more engaged participants in the growing challenges of characterizing chaotic, self-organizing social systems and predicting emergent patterns makes the application of ABMs timely. The enabling of a SS-CoP CFCM human-cyberinfrastructure represents an unprecedented opportunity to synthesize, compare and evaluate diverse sociological phenomena as a cohesive and recursive community-driven process.Community-Based Complex Models, Mathematics, Social Sciences
Quantum Computing Impact Now and the Future
No full textAbstract: The potential for quantum computing to disrupt a variety of industries by solving challenging computational problems more effectively than traditional computers has recently come to light. Quantum computers use qubits rather than conventional bits, utilizing the laws of quantum mechanics to enable exponential parallelism and the processing of massive amounts of data at once. This paper addresses the prospective applications of quantum computing and the potential effects it may have on many sectors, such as the Chemical, Aerospace And Defense, Life Sciences, Financial, Natural Gas, Cybersecurity, and Logistics Industries.
Keywords: quantum computing, potentials, industries, chemicals, aerospace and defense, life sciences, finance, natural gas, cybersecurity, and logistics.
Title: Quantum Computing Impact Now and the Future
Author: Abdullah Saad Alessa
International Journal of Computer Science and Information Technology Research
ISSN 2348-1196 (print), ISSN 2348-120X (online)
Vol. 11, Issue 3, July 2023 - September 2023
Page No: 125-127
Research Publish Journals
Website: www.researchpublish.com
Published Date: 26-August-2023
DOI: https://doi.org/10.5281/zenodo.8285375
Paper Download Link (Source)
https://www.researchpublish.com/papers/quantum-computing-impact-now-and-the-futureInternational Journal of Computer Science and Information Technology Research, ISSN 2348-1196 (print), ISSN 2348-120X (online), Research Publish Journals, Website: www.researchpublish.co
Investigation of Chrysene heterodimers complexes potential energy surface using ab initio computational methods
No full textNumerous chemical and biological entities are greatly impacted by non-covalent interactions in terms of their stability and structure. One such example is the interaction of aromatic rings. These interactions are highly valued in the domains of astrochemistry, biology, chemistry, biochemistry, and material science. The main goals of this study are to explore the Potential Energy Surface (PES) of Chrysene (Chy) heterodimers, identify the most stable configurations among the Chy-Bz, Chy-Np, and Chy-Anth heterodimer complexes, and analyze the inter-molecular interactions between these molecules. This analysis was conducted utilizing ab initio computational techniques. On their PES, the Chy-Np heterodimer exhibited four minima, while the Chy-Bz and Chy-Anth heterodimer complexes showed three. Compared to conformers oriented perpendicularly, co-facial arrangement conformers in Chy heterodimer complexes have stable structures. The global minimum structure of Chy-Bz has been determined to be the face isomer, while Chy-Np and Chy-Anth have global minimum structures of the cross isomer. The binding energies of the structures generated by MP2 are higher than those of DFT-D3, DFT-D4, and SCS-MP2. Optimized geometries and binding energies of larger hydrocarbon aromatic systems are explained in detail by B3LYP-D3 and the recently created B3LYP-D4.The author thanks King Abdullah University of Science and Technology KAUST for providing the Shaheen Supercomputer to be able to contribute the calculations
Analyzing the Energetics of the Four Aromatic Ring Interactions: Theoretical Study.
No full textDespite the growing significance of noncovalent interactions in modern chemical studies, a comprehensive conception of fundamental noncovalent interactions remains elusive. The field still lacks a thorough understanding of these prototype interactions. Specifically, the nature of π-π and C-H···π interactions is not fully understood. These interactions are prevalent in biological systems, supramolecular chemistry, physics, and material science. Many aspects remain unclear, including their intensity, geometric dependencies, energetics, interactions, effects of substituents, and underlying physical principles. The dimers of four Fused Aromatic Rings (4FARs), Benz[a]anthracene (BA), Chrysene (Chy), Tetracene (Tet), and Triphenylene (Tri), have been investigated using Interaction Energy (IE), Stabilization Energy (ESAPT), frontier orbital gaps, and aromaticity indices (FLU, PDI, HOMA, and PLR). Additionally, real-space analyses (QTAIM and NCI) and crystal-topology descriptors (Hirshfeld surfaces and 2D fingerprints) are employed. These methods facilitate the study of stability, energy, and strength of noncovalent interactions as well as the preferred structure of dimer arrangements. Theoretical computations of these homodimer complexes indicate a weak correlation between the interaction and stabilization energies, as well as results from the HOMO-LUMO energy gap and Clar π sextet rule. However, aromaticity, QTAIM, NCI, and Hirshfeld analyses were employed to investigate intermolecular interactions, yielding an agreement with the interaction and stabilization energies. These theoretical methods agree on conformers; therefore, cross-conformers are more stable than face conformers. In terms of 4FAR homodimer configurations, the Tet conformer with a linear geometry is the most stable. However, the Tri conformer with a compact geometry is the lowest stable. The 4FAR homodimer complexes are stabilized by the dominant π-π stacking, which is the critical point.The author thanks King Abdullah University of Science and Technology KAUST for providing the Shaheen Supercomputer to be able to contribute the calculations
AI-Driven Innovation For A Sustainable Future: Transforming Healthcare
No full textThe integration of Artificial Intelligence (AI) into healthcare is reshaping the delivery and sustainability of medical services worldwide. This study investigates the impact of AI-driven innovation on promoting a sustainable future in healthcare, focusing on its effects on diagnostic accuracy, operational efficiency, environmental performance, and patient satisfaction. Utilizing a mixed-methods approach, data were collected from five countries through structured surveys, expert interviews, and secondary databases. Statistical analyses—including regression models, independent t-tests, and MANOVA—revealed significant associations between AI adoption and improvements in healthcare efficiency, cost reduction, and carbon footprint mitigation. Visual data further illustrated rising trends in patient satisfaction and strategic allocation of AI functions, particularly in diagnostics, imaging, and monitoring. The findings affirm that AI, when ethically and inclusively implemented, can serve as a cornerstone for transforming healthcare into a more sustainable, equitable, and technologically advanced system. This study provides strategic insights for policymakers, healthcare institutions, and technology developers aiming to align digital health innovations with long-term sustainability goals
Sustainable Wastewater Management: Is it Possible to Regulate Micropollution in the Future by Learning from the Past? A Policy Analysis
No full textThis paper applies a policy analysis approach to the question of how to effectively regulate micropollution in a sustainable manner. Micropollution is a complex policy problem characterized by a huge number and diversity of chemical substances, as well as various entry paths into the aquatic environment. It challenges traditional water quality management by calling for new technologies in wastewater treatment and behavioral changes in industry, agriculture and civil society. In light of such challenges, the question arises as to how to regulate such a complex phenomenon to ensure water quality is maintained in the future? What can we learn from past experiences in water quality regulation? To answer these questions, policy analysis strongly focuses on the design and choice of policy instruments and the mix of such measures. In this paper, we review instruments commonly used in past water quality regulation. We evaluate their ability to respond to the characteristics of a more recent water quality problem, i.e., micropollution, in a sustainable way. This way, we develop a new framework that integrates both the problem dimension (i.e., causes and effects of a problem) as well as the sustainability dimension (e.g., long-term, cross-sectoral and multi-level) to assess which policy instruments are best suited to regulate micropollution. We thus conclude that sustainability criteria help to identify an appropriate instrument mix of end-of-pipe and source-directed measures to reduce aquatic micropollution
The influence of human resource practices on employees’ responses towards organizational change in the automotive industry: transformational leadership as a mediator
No full textOrganizational change, specifically the human dimension of change, is central to the corporate strategy of manufacturers and suppliers in the automotive industry in the 21st century. However, little research was conducted on the relation between commitment-based human resource practices and employees’ responses towards organizational change and future organizational change so far. The present study investigated the effects of commitment-based human resource (HR) practices, transformational leadership, and psychological safety on employees’ responses to organizational change and to future organizational change in the automotive industry. The author hypothesized that commitment-based HR practices are linked to favorable employee responses towards organizational change (1a) and future organizational change (1b); transformational leadership mediates the positive effect of commitment-based HR practices on employees’ change responses (2a) and employees’ responses to future change (2b); psychological safety mediates the positive effect of commitment-based HR practices on employees’ change responses (3a) and employees’ responses to future change (3b); and the positive relation between commitment-based HR practices and employees’ change responses (4a) and employees’ responses to future change (4b) is mediated by both high transformational leadership and high psychological safety (double mediation). 117 participants from different automobile manufacturers in Germany completed a cross-sectional survey. The results revealed a main effect of commitment-based HR practices on employees’ change responses, confirming the hypotheses 1a and 1b. Process analyses showed a full mediation effect of transformational leadership in the relation of commitment-based HR practices and employees’ change responses, confirming hypotheses 2a and 2b. The third hypothesis was not supported, since no full indirect effect of psychological safety in the relation of commitment-based HR practices and employees’ change responses was found. Finally, no serial double mediation effect of transformational leadership and psychological safety in the association of commitment-based HR practices and employees’ change responses was found, disconfirming hypotheses 4a and 4b. Based both on the theories of social exchanges and uncertainty reduction, the findings highlight how commitment-based HR practices contribute to lower change resistance and change disengagement and to higher change acceptance and change proactivity among employees at German automobile manufacturers.
Keywords: responses to organizational change, commitment-based HR practices, transformational leadership, psychological safety, automotive industr
Development and Psychometric Evaluation of an Instrument to Assess Cross-Cultural Competence of Healthcare Professionals (CCCHP).
No full textCultural competence of healthcare professionals (HCPs) is recognized as a strategy to reduce cultural disparities in healthcare. However, standardised, valid and reliable instruments to assess HCPs' cultural competence are notably lacking. The present study aims to 1) identify the core components of cultural competence from a healthcare perspective, 2) to develop a self-report instrument to assess cultural competence of HCPs and 3) to evaluate the psychometric properties of the new instrument.The conceptual model and initial item pool, which were applied to the cross-cultural competence instrument for the healthcare profession (CCCHP), were derived from an expert survey (n = 23), interviews with HCPs (n = 12), and a broad narrative review on assessment instruments and conceptual models of cultural competence. The item pool was reduced systematically, which resulted in a 59-item instrument. A sample of 336 psychologists, in advanced psychotherapeutic training, and 409 medical students participated, in order to evaluate the construct validity and reliability of the CCCHP.Construct validity was supported by principal component analysis, which led to a 32-item six-component solution with 50% of the total variance explained. The different dimensions of HCPs' cultural competence are: Cross-Cultural Motivation/Curiosity, Cross-Cultural Attitudes, Cross-Cultural Skills, Cross-Cultural Knowledge/Awareness and Cross-Cultural Emotions/Empathy. For the total instrument, the internal consistency reliability was .87 and the dimension's Cronbach's α ranged from .54 to .84. The discriminating power of the CCCHP was indicated by statistically significant mean differences in CCCHP subscale scores between predefined groups.The 32-item CCCHP exhibits acceptable psychometric properties, particularly content and construct validity to examine HCPs' cultural competence. The CCCHP with its five dimensions offers a comprehensive assessment of HCPs' cultural competence, and has the ability to distinguish between groups that are expected to differ in cultural competence. This instrument can foster professional development through systematic self-assessment and thus contributes to improve the quality of patient care
Mind the gap: identifying governance gaps in cross-sector climate resilience governance:The Dutch region of Salland
No full textThe implementation of climate change adaptation measures on a subnational scale coincides with land use planning processes addressing a variety of societal challenges such as the energy transition, economic development and new housing. Implementing these measures comes with a growing necessity for cross-sectoral collaboration. This research explores whether such cross-sectoral interdependencies are reflected in regional actor networks and asserts that if such connections are lacking this can be seen as a governance gap. As case study, we selected the Zwolle region in the Netherlands; an economic growth region where flood risks are increasing due to climate change. To deal with these challenges, the region strives to improve its flood resilience. Based on an extensive document analysis, we identified the actors and issues that are relevant for achieving this ambition. Social Network Analysis is used to investigate the interconnectedness of issues and actors. The results provide insight into the degree to which cross-sectoral issue integration is present. This identifies possible governance gaps, which are a key barrier in cross-sectoral collaboration, thereby hampering climate-resilient growth. The results of the study reveal the degree of cross-sectoral collaboration, thereby identifying governance gaps which give insight in the implementation of regional climate change adaptation measures alongside other policy goals that aim to improve flood resilience. In general results indicate that there are no major differences between issue integration in actors’ work portfolio and issue integration perceived by actors, with a slight overrepresentation of perceived issue integration. The results therefore point out that governance gaps between the issue networks are limitedly present
Women’s Self-Nomination for Leadership Development Programs (LDPs): Gender, Personal Cultural Values, and the Mediating Role of Leadership Self-Efficacy
No full textOrganizations are looking for ways to increase representation of women in leadership and leadership development programs (LDPs). Traditionally, individuals are nominated for entry into these programs, which can result in bias against groups generally underrepresented in leadership. In response, firms may consider using a self-nomination model for entry, whereby individuals submit themselves for consideration for an LDP. However, scant research has focused on the implications of utilizing such a process.
The current work provides a first step towards filling this gap by examining gender and cultural differences in LDP self-nomination. Drawing from the proactive behavior literature, the present study examined differences in LDP self-nomination for women and men, generally and in interaction with personal cultural values—individualism, power distance (PD), and gender egalitarianism (GE). Additionally, leadership self-efficacy (LSE) was examined as a mediating mechanism. Finally, attitudes and interests towards leadership development and LDPs were examined as exploratory outcomes.
Predictions were tested using a cross-sectional design with 344 undergraduate students. Participants completed several self-report measures of the focal variables before being given the opportunity to nominate themselves for a fictitious LDP.
Results suggested that participant gender and personal cultural values largely did not predict LDP self-nomination. However, being male and having higher GE were both associated with higher LSE which, in turn, predicted LDP self-nomination. Gender and GE had indirect effects on LDP self-nomination through their effects on LSE. This reaffirms the key role LSE plays in understanding LDP self-nomination, providing a potential intervention point for practitioners. In the case of gender, there was a suppression effect, whereby the overall influence of being female on LDP self-nomination was non-significant (but positive) while the indirect influence through LSE was negative. This suggests that there may be other mediators that are contributing to women self-nominating at higher rates. None of the interactions of gender and the personal cultural values were significantly related to LSE. Additionally, study findings emphasized the importance of using a variety of outcome measures to understand interest in leadership development. For example, though LSE was significantly, positively related to all leadership development variables, it was more strongly related to general measures than vignette-specific outcomes. These measures also differed with respect to the influence of personal cultural values. Finally, though not the study focus, results highlighted that extraversion was positively related to LSE and LDP self-nomination.
From a scientific perspective, this study expands the limited research on entry into LDPs and bridges the cultural values and proactive behavior literatures. For practitioners, this study helps to better understand some of the potential benefits and unintended consequences of moving towards a self-nomination process and provides a potential intervention point through targeting LSE. Taken together, the present study provided some cautious initial optimism but does not yet fully support the use of a self-nomination process for LDPs, especially without proper monitoring of gender diversity and the encouragement of more introverted potential future leaders. Nonetheless, the overall non-significant difference between men and women in LDP self-nomination suggests that moving towards self-nomination warrants more attention by both researchers and practitioners
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