Computational Science and Its Applications – ICCSA 2024 Workshops

The direct method is one of the most important algorithms for solving linear systems of equations, with LU decomposition depleting a significant portion of the computation time. This study explores strategies for accelerating complex LU decomposition, using multiple-precision floating-point arithmetic of the multiple-component type. Specifically, the potential efficiency gains are explored using a combination of single instruction and multiple data stream (SIMD) and the 3M method for complex matrix multiplication. This approach was compared with the implementation of the direct method in MPLAPACK, using benchmark tests focusing on computation time and numerical errors.

Over the past two decades, chronic degenerative diseases have risen to prominence in global and national morbidity and mortality statistics. Notably, type 2 diabetes mellitus, arterial hypertension, and metabolic syndrome have been highlighted for their prevalence and have been identified by the World Health Organization (WHO) as potential causes of 50% of worldwide fatalities. Despite increased awareness driven by internet dissemination about risks associated with sedentary lifestyles and poor diets, and the subsequent shift in public perception towards healthier living, it remains a reality that individual concern typically arises following the initial symptomatology of these conditions. In response to this situation, the current study proposes the development of an early warning system, underpinned by advanced machine learning algorithms such as LightGBM, XGBoost, and ensemble methods based on Random Forests that employ gradient boosting techniques to enhance predictive accuracy. This model processes data efficiently, requiring minimal computational resources, to provide personalized risk predictions based on categorical characteristics, as well as biometric and clinical variables. In light of the findings, the deployment of a web platform is anticipated, which will enable individuals to assess their health risk using readily available indicators, thereby promoting greater proactivity in personal health management

The reaction with the \(\textrm{He}^{+.}\) cation is considered one of the most important processes in the destruction of interstellar complex organic molecules (iCOMs). The development of accurate astrochemical databases requires the detailed knowledge of the rate constants and branching ratios of the processes. The dynamics of the charge exchange process between \(\textrm{He}^{+.}\) and methyl cyanide (\(\textrm{CH}_3\textrm{CN}\)) can be studied through a Landau-Zener-Stückelberg approach, which needs a detailed analysis of the potential energy surface (PES). In the present contribution, the Improved Lennard-Jones (ILJ) formulation is used to unveil the main features of the PES for \(\textrm{He}^{+.}\) + \(\textrm{CH}_3\textrm{CN}\) reaction, in order to set the stage for an accurate investigation of the dynamics of the charge-exchange process. The low computational cost and the high portability of the ILJ formulation allows to extend the approach to the study of different systems, with relevance in several fields, ranging from astrochemistry to nanomaterials.

In this paper is presented a summarizing description of the collection and computational analysis of the relevant data recorded following a double photoionization experiment on molecular species of interest in astrochemistry. In particular, the computational procedure used to analyze experimental data collected in the double photoionization of allene molecules by tunable radiation in the 25.0–45.0 photon energy range of the GASPHASE and CiPo beamlines of the ELETTRA synchrotron facility of Basovizza (Trieste, Italy) is outlined and discussed. Data presented are recorded using the ARPES (Angle Resolved PhotoEmission Spectroscopy) end station, which is a molecular beam apparatus coupled with a PEPIPICO (Photoelectron-Photoion-Photoion Coincidence) technique and TOF (Time-of-Flight) mass spectrometry, in three different beamtimes.

The theoretical investigation of large aromatic compounds interacting with atomic oxygen is a computationally very challenging problem for the requirements in terms of computer time and scratch disk space. The use of very accurate methods like the CCSD(T) with very extended basis sets is unfeasible. It is necessary to use less expensive methods. In this article we consider a computational strategy able to provide reasonably accurate results with affordable computing costs.

Bimolecular reactions involving aromatic compounds are of great interest in many areas of applied science. Given their large weight, an experimental characterization might be difficult using the common experimental methods because of their low vapor pressure. Also the characterization via theoretical methods is difficult, because of the large number of atoms involved and some difficulty in describing delocalization effects with the usual methods for electronic structure calculations. In this contribution, we report a benchmark analysis of the reaction between pyridine and atomic nitrogen in the \(\text {excited} ^2\)D state, which is of relevance in different fields in the chemistry of the thermosphere of Titan. We have used different computational strategies, mainly based on DFT methods, which represent a convenient option in the case of large systems. The use of more accurate methods, such as the coupled-cluster theory, might be difficult to implement considering the significant hardware requirements. The results of this analysis suggest that an acceptable computational strategy is represented by the use of hybrid functionals, such as the B3LYP or M062X, in conjunction with the aug-cc-pVTZ basis set. Implications for the chemistry of the atmosphere of Titan (the largest moon of Saturn) are briefly discussed.

The localization of the Sustainable Development Goals (SDGs) is a crucial factor for achieving all 17 goals outlined in the UN 2030 Agenda, particularly at the urban level. While SDG 11 specifically focuses on cities and communities, it is important to note that all SDGs encompass an “urban component”. However, there are limited tools available that offer a comprehensive evaluation in this regard. This paper introduces the methodology employed to create a new tool for localizing SDGs at the urban and neighbourhood level, aimed at supporting the Regional Sustainable Development Strategy (Sardegna2030) of the Sardinia Region in Italy. The evaluation framework, indeed, is designed to become a centrepiece in the institutionalisation of sustainability assessment across the public administrations, and to promote sustainability through urban projects and policies. This work raises critical questions about the current practices and suggests how SDGs-oriented urban strategies and projects can offer a comprehensive a common framework of principles and criteria against which different interventions can be assessed and justified. The chapter concludes with a discussion of the potential more general relevance of such an approach, and some suggestions for future research and practice.

The present paper aims to analyse the European residential real estate market through a set of indicators elaborated by Eurostat. By means of the use of correlation analysis, the comparison of several housing market indicators related to European nations enables the creation of a synthetic and unambiguous representation of the residential property market trend, as well as the comprehension of the dynamics that are seen within each nation and of the relationships that exist between the indicators with nations. The use of deflated indicators and the analysis of inflation trends has allowed us to highlight the peculiarities of the Italian residential property market and its ability to act as a safe-haven asset.

The anthropogenic greenhouse effect results from human activity that causes greenhouse gas (GHG) emissions, the effects of which are now directly observable in terms of pollution and global warming. Among the negative consequences of rising global temperatures are the advancing processes of desertification, rising water levels, and biodiversity loss. The seriousness of the problem is underlined by the many plans and policies being implemented by governments internationally. The paper analyses the real estate sector’s responsibility for GHG emissions. The existing building stock, built before introducing energy efficiency measures, needs to be energetically renovated to meet the current requirements and performance standards that governments now demand.

The paper presents an analysis of forecast data from the Carbon Risk Real Estate Monitor (CRREM) project, an EU-funded initiative to provide information on the decarbonization path to be followed by the existing building stock in 30 European countries. The study’s contribution is the construction of a Building Decarbonisation Performance Index (I_BDP). The index was constructed using forecast data provided by the CRREM project, which were processed by implementing the operational logic of multi-criteria techniques. I_BDP was designed with the objective of monitoring and assessing the degree of alignment between European countries and the decarbonization paths set by EU policies.

The real estate sector, particularly in Europe, plays a significant role in energy consumption, with older and post-World War II buildings contributing most to air emissions. To address this, the European Union has implemented directives since 2002, emphasizing energy efficiency in both existing and new buildings. In response, European countries’ governments have introduced incentives to encourage efficiency in existing facilities and the construction of new, high-efficiency buildings. This has led to the development of innovative and sustainable business models, notably the Turnkey Contract model, originating from the United States and exclusively used for new constructions.

This article comprehensively analyses the Turnkey Contract business model, focusing on 11 European case studies from Belgium, Germany, the Netherlands, and Spain. The study employs Multiple Correspondence Analysis (MCA) and K-modes cluster analysis to identify economic profiles associated with this model. The results reveal two distinct clusters: one with private ownership, smaller-scale buildings for private use, and a construction company as the main contractor; the other with public ownership, larger-scale buildings for public use, and an architecture/engineering firm as the main contractor.

The analysis also highlights commonalities between the two clusters identified, such as a project duration of 1–3 years, energy class A properties, and subsidized interventions like insulation and renewable energy installations. The study provides insights into how ownership structure and intended use influence the variations in the Turnkey Contract business model, offering a foundational exploration for future research to consider economic, financial, and cultural specificities across European countries.

The COVID-19 pandemic of 2020 has highlighted the vulnerability of global health systems and the need for resilient health infrastructures capable of meeting current and emerging challenges. In response, governments around the world are reassessing their health systems and recognizing the urgency of change. This paper provides an overview of economic evaluation techniques used to assess the feasibility of health interventions, particularly relevant in the current context of increased funding for health systems strengthening. Economic evaluation techniques such as Cost-Effectiveness analysis (CEA), Cost-Utility analysis (CUA), Least-Cost Analysis (LCA), and Cost-Benefit Analysis (CBA) are reviewed, each with its limitations and challenges, especially when applied to the complex health sector. The paper highlights the need for critical evaluation of methodologies and suggests future research directions aimed at overcoming these limitations, possibly through integrated approaches or additional quality assessment techniques such as Multi-Criteria Analysis (MCA).

Italy is increasingly becoming an aging nation. According to the national Institute of Statistics, nearly one in four individuals is over the age of 65, and by 2050, it is estimated that this demographic trend could constitute 35% of the population. This aging also brings with it an increase in the number of people who are not self-sufficient. Currently, there are approximately 4 million individuals in Italy with a severe reduction in autonomy in daily activities, and of these, 92% live at home. The lack of care provision for an aging population has been considered a significant opportunity by the real estate market. The sector of Residential Healthcare Facilities (RHFs), in fact, is emerging as one of the most promising, and it is also beginning to attract increasing interest from investors in Italy seeking attractive returns. This research aims to analyze the main aspects related to the RHF sector. In this sense, an economic evaluation case study is presented, concerning the enhancement of a nursing home located in the Friuli Venezia Giulia region (Italy).

Port cities constitute complex urban systems in which human settlement, production activities, and coastal resource uses intersect. Sustainable planning in these cities is critical due to the intricate relationship and interdependence between environmental phenomena and socio-economic processes. This literature review investigates the role of evaluation in the study of port cities by cross-checking the concepts of “evaluation” and “port cities”. The Scopus database was queried to obtain publication data; then VOSviewer software was used for bibliometric analysis of the results. The analysis of the scientific literature identifies the themes, scale of application, key methodologies and evaluation issues found. Afterwards, the classification of scientific literature is differentiated by scale of application, topic, method, and evaluative problem. The results show how research tends to distinguish and separate the evaluation of the economic performance of the port, seen as transportation and logistics infrastructure, from the assessment of socio-environmental processes, referring to the urban waterfront and coast. This separation is reflected in the identified research gaps and suggests that the application of evaluation to the transformative processes of port cities must therefore promote the integration of the different dimensions involved, aiming for the recognition of the complexity of the values involved and pursuing Sustainable Development Goals.

The energy transition promoted in European countries to improve the sustainability of the energy sector brings together citizens to generate, share and sell energy produced by locally owned renewable plants. Energy communities (ECs) and collective self-consumption (CSGs) groups are strategic power-sharing models to drive this democratization process in a flexible way. However, these two models face challenges such as regulatory barriers, technical limitations, and social acceptance. In addition, the optimal sizing in terms of consumption and production to locally balance the EC load and generate the best obtainable value for all stakeholders represents another pivotal challenge. In this framework, the study proposes a methodology to assess multiple sizing scenarios of the generation and storage system in condominiums, applying an innovative multi-criteria techno-economic approach that allows to analyze the potential benefits that can be obtained by simulating. A case study of a collective self-consumption group located in a smart building in Italy is developed to assess the relevance of the methodology. The investment case supported by a third-party investor is evaluated and analyzed.

Growing urbanisation and energy efficiency challenges pose the need for innovative strategies to reduce the environmental impact of cities. This study proposes to address this need through the definition of a protocol to assess the financial and economic risk of urban energy redevelopment projects implemented through public incentives (tax breaks or public funding), focusing on the Italian context but with an approach that can be replicated internationally. The methodology is based on a critical analysis of the existing regulatory framework and the synthesis of international best practices. The protocol envisages eleven phases, including the preliminary analysis of the urban context, the identification of interventions, the evaluation of incentive policies, the study of the main criticalities characterising these policies and the analysis of the economic and financial risk in probabilistic terms. In the next phase of risk assessment, objective thresholds of risk tolerability and acceptability are defined using the ALARP principle, originally employed in industrial engineering to estimate the probability of loss of life. The final considerations highlight the importance of a holistic assessment of the risks and economic benefits associated with urban energy efficiency projects to ensure sustainable investments and maximise the results.

Energy is vital in sustaining human life and fostering development, yet the energy sector's significant contributions to greenhouse gas emissions and climate change necessitate transformative changes, commonly addressed as an energy transition.

As major energy consumers and greenhouse gas emitters, cities play a pivotal role in such transition. Urban plans and policy mechanisms offer a means to regulate urban processes and practices, influencing energy demand and emissions patterns; however, transformation processes also involve phenomena that extend beyond the confines of urban planning practices, for instance, collective actions.

Collective Energy Initiatives (CEIs) represent an emerging transformative social movement fostering the transition toward decentralized renewable energy production and consumption. The implementation of renewable energy technologies introduces spatial challenges, such as land competition and conflicting land uses, suggesting that CEIs practices may have spatial repercussions in urban areas. Yet, there is a lack of scholarly interest in the spatial impacts of CEIs.

This contribution presents early findings from an ongoing literature review aimed at identifying methodological approaches to study the spatial impacts of CEIs. Drawing upon existing publications on CEIs, a conceptual framework is formulated to stimulate new trajectories in understanding the complex interplay between energy transitions, collective actions, and their spatial implications. The resulting integrative framework highlights the multifaceted nature of CEI impacts and emphasizes the importance of a nuanced understanding of both internal dynamics and external contexts to effectively address spatial concerns at the city level.

Renewable Energy Communities (RECs) are a promising instrument for decarbonizing urban areas and reduce energy poverty. This contribution is part of a larger research program, where it was previously presented a methodology to identify priority areas in which to foster the RECs promotion through the Municipal Urban Plan. The specific objective of this work is to evaluate the transferability of this methodological path to the territorial context of intermediate areas, located halfway between urban poles and inland areas. So, the methodology is applied to the case study of Fisciano Municipality, in Campania Region (Italy), in the context of studies for the Municipal Urban Plan formation. From this application, it is possible to conclude that the transferability of the above methodology is also possible to intermediate contexts. However, the results obtained offer further insights, especially the need to diversify the incentives and reward mechanisms to be provided for the RECs development in the plan, in relation to the different territorial contexts in which the planning activity is carried out. In this way, it is possible to ensure a just energy transition in urban areas, avoiding the generation of further inequalities.

Adaptation to climate change and the need to deal with its impacts pose in evidence how important it is to identify and implement new planning practices that integrate these profiles into land-use policy-making. Within this conceptual framework, the identification of a system of plan objectives and actions that characterize the integration of climate change adaptation into planning policies, with particular reference to the local scale, is of particular importance. In this study, a methodology for implementing this integration is proposed through the establishment of a logical framework for the construction of municipal masterplans through strategic environmental assessment, as a pathway in which plans are formed and developed, as part of the assessment process, through the identification of a strategic system of objectives and an operational system of planning actions based on the integration of climate change adaptation into the plan formation process.

The global scenarios associated with climate change predict a rise in temperatures over the coming decades, with serious consequences in terms of economics and quality of life. The scenarios outlined by the IPCC and the European Environment Agency foresee the Mediterranean basin as one of the areas potentially most affected by these phenomena. The paper, starting from the global scenarios, hypothesizes a local scenario in a region of significant relevance in Southern Italy, the Province of Avellino. Due to its implications, the paper proposes to use the scenarios as a primary tool in the building of regional planning for this area.

In a scenario of global urbanization and increasing impact of cities on climate change and loss of biodiversity, urban planning has a critical role in the path towards sustainability. The pathway towards climate neutrality requires novel tools and approaches for accounting for different components of urban metabolism relating cities to the surrounding territories. This paper explores the integration of a climate neutrality framework to address climate and biodiversity challenges in urban planning. Through the mapping of crucial ecosystem services (ES), the study presents a methodology to account for the (Eco)system capacity of the urban system, stimulating considerations in respect of urban impact towards inland territories in the case study of Turin, Italy. The study reveals the critical role of ES in enhancing urban sustainability and resilience, offering valuable insights for policymakers toward achieving climate neutrality.

This study aims at analyzing the relationships between supply of ecosystem services, features of green areas and characteristics of settlements in urban contexts, by taking the Italian city of Cagliari as study area. The services offered by the urban ecosystems that are identified as the most relevant in association with the spatial framework of green areas in urban environments are heat mitigation, carbon capture and storage, and runoff control, with particular reference to flood-related events. The features of green areas are identified with reference to the height of vegetation, by distinguishing between grasslands, shrubby cover, and trees and woodland cover. Finally, we characterize the urban settlement through the building and population densities, and through the education level, as a proxy for the residents’ social statuses. The assessment of performances of the urban ecosystem services shows negative correlations with the intensity of urbanization, whereas the size of the enhancement in the supply of ecosystem services can be associated with different types of green areas. In terms of policy implications, the outcomes of the study show that there is plenty of room for improvement in the ecosystem services performance based on fine-tuning measures which involve building and population densities and vegetation cover.

The increasing rate of urbanization and continuous population growth in urban areas leads to several problems, including the emergence of urban heat islands (UHI), defined as urban areas where temperatures are higher than in the surrounding rural areas. UHIs have negative impacts on the health of populations and lead to increased energy consumption for cooling. One of the main causes of higher temperatures in urban areas and, therefore, the creation of UHIs is impervious surfaces, which in turn lead to poor thermal comfort in cities. Ecosystem services and, in particular, the ecosystem service of local climate regulation are a valuable tools to mitigate the effects of UHI. The contribution reviews the existing literature concerning the mitigation of heat island effects through ecosystem services, in order to understand how they are studied and analyzed in the international scenario. The proposed methodological approach is based on a framework of analysis of the scientific contributions published in the last fifteen years on the subject of UHI, investigating the phenomenon through an interpretation key based on the issues addressed, the methods used and the spatial scales to which these methods have been applied.

Ecosystem services (ES) knowledge leads to action and is essential for improving the relationship between humans and environment, as it provides crucial information for decision-makers. This paper showcases abandoned railway landscapes as valuable resources for Green Infrastructure strategies, focusing on their potential to enhance ES at the provincial level using Sassari Province as a case study. Employing an adapted ESTIMAP model, it evaluates cultural ES by mapping recreation potential in Sassari, using areas of interest and slow mobility network as parameters to emphasize the potential of disused railways as ES sources. The results underscore the importance to integrate ES assessment into decision-making process while demonstrating the potential of disused railways to improve nature-based recreation. By advocating for the reuse of existing structures, and particularly focusing on a single typology of brownfields such as railways, it allows for the identification of specific actions and provides municipalities with actionable insights to determine starting points for implementation.

Cultural ecosystem services (CES) play a crucial role in enhancing human well-being by providing intangible benefits such as spiritual enrichment, aesthetic enjoyment, and cultural identity. However, defining and categorizing CES presents a significant challenge due to their subjective nature and multifaceted dimensions. This paper critically examines various approaches adopted in defining and conceptualizing CES within the realm of ecosystem services research. Through a review of existing literature, we explore the diversity of perspectives and methodologies used to identify, assess, and classify cultural services provided by ecosystems. Various approaches exist for spatial identification of CES, ranging from territorial indicator-based methods to philosophical theories. However, literature analysis reveals the difficulty in universally defining evaluation methods applicable to all cases. While macrolevel guidelines aid in recognizing potential CES, contextual analysis of structural elements is necessary. Integrating a system for assessing immaterial values can track both material and non-material benefits of CES within the territory. This suggests a context-based approach for both identification and evaluation of CES, essential for effective planning processes. By synthesizing diverse conceptualizations and methodological approaches, this paper aims to contribute to a deeper comprehension of the complexities inherent in defining and valuing cultural ecosystem services, ultimately fostering more effective conservation and sustainable management strategies.

Actions to handle the threats posed by climate change-related events and energy crisis are becoming increasingly needed. The transition from fossil fuels-based development to a more sustainable one has been prioritised in global agendas. The energy-saving issue is the foundation of the social and economic model of transformation for the near future and the turning point for sustainable, smart and energy resilient urbanisation. Thus, integrating energy-saving solutions with urban planning remains a challenge. This study aims at bridging this gap by investigating the relationship between urban characteristics and residential energy consumption using statistics and spatial analysis. Starting from deepening the results of a first GIS-based analysis applied to Naples (Italy) and the methodology behind them, this contribution aims at exploring how to support policy-makers in decision processes by implementing novel representation techniques. This study reveals how urban context dynamically impacts household energy usage, with a focus on green urban areas, by using Geographically Weighted Regression (GWR) and depicting the non-stationary estimation coefficients derived from the investigation. This knowledge could enable local decision-makers to maximize the efficiency of energy-saving actions in building more resilient and sustainable cities by customizing them for particular metropolitan locations.

Given the urgency in addressing the climate change acceleration, the international community emphasises the relevance to promote both mitigation adaptation measures to achieving climate neutrality by setting binding targets for member countries in terms of emission reductions. One of the main strategies at the local level is to increase resilience through territorial planning and measures aimed at reducing energy consumption and climate adaptation. In this regard, many studies have shown that the physical characteristics of the urban context are significant factors influencing the achievement of these goals. This paper represents a first step in a larger PRIN-funded research project ‘Definition of a handbook of guidelines for implementing climate neutrality by improving the effectiveness of ecosystem services in rural and urban areas’, aimed at defining an energy-efficient decision support tool based on urban and open space characteristics. In contrast to traditional studies that tend to address the two issues (energy and climate change) separately and at the scale of individual interventions, this research considers the two types of open spaces as a single network and adopts a holistic approach, privileging the urban and neighbourhood scale. The work has a twofold goal: (i) identifying the most significant urban characteristics and the related descriptive variables mainly affecting thermal comfort and energy consumption, by carrying out an extensive scientific literature review and the authors’ previous works and (ii) and classifying the surrounding urban context of open spaces based on the relationships among the variables explaining the urban characteristics identified as relevant to investigate the match between homogeneous characteristics and the reciprocal position of open spaces. This second goal was achieved through a cluster analysis focused on the fabric portions influenced by the cooling effect of existing and potential vegetation.

A resource as a virtual structure that is directly connected to the space (territorial resource) is synthesized as a multitude of items – ingredients of material or immaterial dimension. The material ingredients have a tangible substance, such a permanent element of nature or a human construction, such as landscape, water, monuments, paths, etc., while the immaterial ingredients deal with any intangible notion such as heritage, sustainability, prosperity, historical event, social relationships, etc. The properties of both material and immaterial ingredients connection of a resource are dramatically important to describe and highlight a territorial resource. This connection should be associated with a spatial projection/visualization allowing actors (decision makers, training local policy, citizens, etc.) who are involved in a process of construction territorial resources to better understand the space and to consult in a more fertile manner in a participatory territorial resource’s management process. The research deals with the theoretical description of a digital tool of territorial resources’ representation and management that will combine modern simulation technologies and will investigate the search of a functional relationship between virtual environment, territorial resource’ elements and local actors’ institutional learning cognitive needs, leading in this way, to enhanced sustainable management of territorial resources. Finally, the proposed tool should help the process of identifying and highlighting the territorial resource, the active participation of local actors and the collective local memory in order to project in space the connection of the material/immaterial elements of the territorial resource.