Periodic Reporting for period 3 - SimEA (Modeling and Simulation for Engineering Applications)
Okres sprawozdawczy: 2022-06-01 do 2024-09-30
- A need to enhance the research and innovation capacity of CaSToRC:
The Computation-based Science and Technology Research Centre (CaSToRC) of the Cyprus Institute (CyI) is involved in multidisciplinary research centred around high performance computing (HPC) and data science approaches. One of the overarching objectives of the SimEA project is to complement existing research domains in CaSToRC with a computational engineering component. It is envisaged that this will significantly enhance its research portfolio, applied science applications, funding opportunities, collaborations, and innovation capacity to better exploit its research outcomes.
- Importance for society
In general, computational disciplines and data processing affect our day-to-day lives in many ways, e.g. we travel in cars and airplanes designed through modelling and simulations, we develop novel materials and study the environment with the help of HPC systems, we improve health services by using extensive data analysis, and we optimise design, manufacturing, and operations by analysing vast amounts of data. In the SimEA project, we develop and apply mathematical and computational models to study and design complex molecular systems to address a variety of problems, e.g. we develop methods to predict the structure-property relationships of heterogeneous polymer-based nanostructured materials, such as polymer nanocomposites and thin films, which could have strong technological and economic impacts due to their potential for various important applications, such as in the automotive (tire) industry.
- Overall objectives are to:
1. Recruit the ERA chair and his research team.
2. Establish new research initiatives in accord with the Smart Specialisation Strategy of Cyprus. This will allow for access to local funding which will ensure a more sustainable future for CaSToRC.
3. Forge new local and international collaborations with academia and industry.
4. Create an innovation focal hub related to “computational science and engineering” at CyI. Synergies with industry will serve to enhance the innovation capacity of CaSToRC.
5. Enrich the curriculum of PhD and MSc programs.
6. Raise awareness of the importance of computational engineering and its impact on society.
7. Establish CaSToRC as a national hub for advanced computing which will serve to advance research, education, and the scientific career of students and young researchers with multi-disciplinary skills in the areas of algorithms, analysis of big data, and simulation methods.
The Computation-based Science and Technology Research Centre (CaSToRC) of the Cyprus Institute (CyI) is involved in multidisciplinary research centred around high performance computing (HPC) and data science approaches. One of the overarching objectives of the SimEA project is to complement existing research domains in CaSToRC with a computational engineering component. It is envisaged that this will significantly enhance its research portfolio, applied science applications, funding opportunities, collaborations, and innovation capacity to better exploit its research outcomes.
- Importance for society
In general, computational disciplines and data processing affect our day-to-day lives in many ways, e.g. we travel in cars and airplanes designed through modelling and simulations, we develop novel materials and study the environment with the help of HPC systems, we improve health services by using extensive data analysis, and we optimise design, manufacturing, and operations by analysing vast amounts of data. In the SimEA project, we develop and apply mathematical and computational models to study and design complex molecular systems to address a variety of problems, e.g. we develop methods to predict the structure-property relationships of heterogeneous polymer-based nanostructured materials, such as polymer nanocomposites and thin films, which could have strong technological and economic impacts due to their potential for various important applications, such as in the automotive (tire) industry.
- Overall objectives are to:
1. Recruit the ERA chair and his research team.
2. Establish new research initiatives in accord with the Smart Specialisation Strategy of Cyprus. This will allow for access to local funding which will ensure a more sustainable future for CaSToRC.
3. Forge new local and international collaborations with academia and industry.
4. Create an innovation focal hub related to “computational science and engineering” at CyI. Synergies with industry will serve to enhance the innovation capacity of CaSToRC.
5. Enrich the curriculum of PhD and MSc programs.
6. Raise awareness of the importance of computational engineering and its impact on society.
7. Establish CaSToRC as a national hub for advanced computing which will serve to advance research, education, and the scientific career of students and young researchers with multi-disciplinary skills in the areas of algorithms, analysis of big data, and simulation methods.
Prof Vangelis Harmandaris was recruited as the ERA chair. He is a world-class researcher with an excellent track record in computational engineering. His research complements that of CaSToRC and the Smart Specialisation Strategy of Cyprus.
Prof Harmandaris recruited a versatile team of highly qualified professionals that will drive both the scientific and innovation aspects of the project. At the end of the ERA Chair project funding, the SimEA team is fully sustained through awarded grants, and is composed of the ERA Chair, an Assistant Professor and 8 post-doctoral-level researchers and 5 PhD students, a Managing Coordinator for Industrial Collaborations / Innovation Scout, and a Scientific coordinator.
The group spearheaded area across the following interconnected thematic areas, which resulted to nearly 50 publications by the end of the project.
1. Multi-scale computational modelling of nanostructured materials with applications in nanotechnology
2. Physics-based data-driven approaches for large-scale simulations and AI technologies
3. Modelling of Biomolecular Systems for Biotechnology Applications
4. Statistical inference for Uncertainty quantification and model Selection
5. HPC and AI Technologies – Towards the Exascale Era
SimEA established a Management and Innovation Office (MIO) to enhance the Innovation Capacity of the Centre. The MIO consists of a Managing Coordinator for Industrial Collaborations acting as innovation scout, and two scientific coordinators. Its successes include
- the design of an Industry Scouting Program, where private companies and public organisations can express their interest to start a project with the centre
- the exploitation of synergies with other flagship projects at the Institute, as the designated National Competence Centre in HPC (EuroCC2) and coordinator of the European Digital Innovation Hub of Cyprus (DiGiNN).
- the establishment of collaborations with other CyI structures, e.g. Research Innovation and Management Support (RIMS) to compile collaboration agreements for various projects.
- the design of several collaborative projects with SMEs in different fields and the coorganisation of several events within the institute and with other stakeholders
Overall, the SimEA team contributed to securing 18 grants totaling over 5.7M EUR for CyI, with 2.5M EUR of these supporting researchers and activities of the SimEA. Seven successful grants involved industrial partners, in strategic areas of advanced materials for green tech, energy storage, and sustainable, circular materials for waste valorisation. In addition SimEA
- established the National Network for Industrial Mathematics, CY-MATHS-IN
- acquired membership in the European Consortium for Mathematics in Industry.
- is a founding member of the nascent Cyprus - Advanced Materials Network of more than 80 members from around 30 groups in several Cypriot RTOs.
Extensive dissemination through the following pathways:
- Publishing in high impact journals (all Q1) and participation in conferences.
- The Seminar Series, attracting well-known researchers in the field.
- Training events and workshops that are open to researchers in both academia and industry.
- The SimEA group had an online presence with a webpage leveraging social media handles
- Participation in outreach activities, e.g. annual Researcher’s night events, “CyI Women and Girls in Science” campaign.
Prof Harmandaris recruited a versatile team of highly qualified professionals that will drive both the scientific and innovation aspects of the project. At the end of the ERA Chair project funding, the SimEA team is fully sustained through awarded grants, and is composed of the ERA Chair, an Assistant Professor and 8 post-doctoral-level researchers and 5 PhD students, a Managing Coordinator for Industrial Collaborations / Innovation Scout, and a Scientific coordinator.
The group spearheaded area across the following interconnected thematic areas, which resulted to nearly 50 publications by the end of the project.
1. Multi-scale computational modelling of nanostructured materials with applications in nanotechnology
2. Physics-based data-driven approaches for large-scale simulations and AI technologies
3. Modelling of Biomolecular Systems for Biotechnology Applications
4. Statistical inference for Uncertainty quantification and model Selection
5. HPC and AI Technologies – Towards the Exascale Era
SimEA established a Management and Innovation Office (MIO) to enhance the Innovation Capacity of the Centre. The MIO consists of a Managing Coordinator for Industrial Collaborations acting as innovation scout, and two scientific coordinators. Its successes include
- the design of an Industry Scouting Program, where private companies and public organisations can express their interest to start a project with the centre
- the exploitation of synergies with other flagship projects at the Institute, as the designated National Competence Centre in HPC (EuroCC2) and coordinator of the European Digital Innovation Hub of Cyprus (DiGiNN).
- the establishment of collaborations with other CyI structures, e.g. Research Innovation and Management Support (RIMS) to compile collaboration agreements for various projects.
- the design of several collaborative projects with SMEs in different fields and the coorganisation of several events within the institute and with other stakeholders
Overall, the SimEA team contributed to securing 18 grants totaling over 5.7M EUR for CyI, with 2.5M EUR of these supporting researchers and activities of the SimEA. Seven successful grants involved industrial partners, in strategic areas of advanced materials for green tech, energy storage, and sustainable, circular materials for waste valorisation. In addition SimEA
- established the National Network for Industrial Mathematics, CY-MATHS-IN
- acquired membership in the European Consortium for Mathematics in Industry.
- is a founding member of the nascent Cyprus - Advanced Materials Network of more than 80 members from around 30 groups in several Cypriot RTOs.
Extensive dissemination through the following pathways:
- Publishing in high impact journals (all Q1) and participation in conferences.
- The Seminar Series, attracting well-known researchers in the field.
- Training events and workshops that are open to researchers in both academia and industry.
- The SimEA group had an online presence with a webpage leveraging social media handles
- Participation in outreach activities, e.g. annual Researcher’s night events, “CyI Women and Girls in Science” campaign.
The SimEA project has advanced the state of the art by integrating computational engineering into CaSToRC’s research portfolio, reinforcing its position as a leading hub for high-performance computing (HPC) and data science in the region. This multidisciplinary approach has enabled the development of novel computational models for predicting the behaviour of complex molecular systems, with significant technological implications for materials science, energy storage, decarbonisation, circularity sustainability and biomedicine. The project's outcomes are expected to have far-reaching socio-economic and societal implications. By addressing critical global challenges such as the development of sustainable materials and waste valorization, SimEA directly contributes to green innovation and the circular economy. The establishment of the rebranded MSc program in High-Performance Computing and Machine Learning (HPC-ML) has enriched educational opportunities, equipping the next generation of scientists and engineers with cutting-edge skills. Dissemination efforts through high-impact publications, training workshops, and outreach initiatives have fostered widespread awareness of the role of computational science in addressing societal needs, inspiring further innovation and collaboration within and beyond Cyprus. These achievements position CaSToRC as a sustainable, innovation-driven research center poised to make lasting contributions to science, education, and industry.