Since the start of the SimEA project, the team has participated in a number of grant proposals, either as coordinator or partner, Thus, a number of projects have been secured through thecompetitive funding, further expanding the team in Computational Engineering. These projects are described below:

(1 January 2021 - 31 December 2023)

The Computation-based Science and Technology Research Centre (CaSToRC) of The Cyprus Institute has become part of the recently funded European Centre of Excellence (CoE) in Exascale Computing “Research on AI- and Simulation-Based Engineering at Exascale” (RAISE), funded under the H2020-INFRAEDI-2018-2020 call. The CoE will advance the use of high performance computing (HPC) capabilities for the upcoming exascale computers in engineering applications. The involvement of CaSToRC in RAISE pertains to work packages 3, 4, and 6:

• WP3 (Compute-Driven Use-Cases towards Exascale): physics-informed machine and deep learning algorithms are employed in computational fluid dynamics in an effort to understand the behaviour of liquids on surfaces, with applications in the optimization of surface features for facilitating droplet transport for water harvesting, printing technologies and oil recovery, among others. “Task 3.5: AI for wetting hydrodynamics” is led by Assist. Prof. Nikos Savva. Dr Andreas Demou is also involved in WP3, on the modelling of multiphase flows. More specifically, CFD datasets are generated and used for the training of physics-informed machine learning models in the domain of wetting hydrodynamics.
• WP4 (Data-Driven Use-Cases towards Exascale): through its collaboration with the Delphi consortium that is comprised of approximately 30 international companies in the geo-energy sector, Dr Naveed Akram works on seismic imaging along with remote sensing for energy applications. More specifically, his work aims to develop innovative Neural network (NN) architectures that can replace the Green’s function, the most computationally expensive part for the simulation of seismic waves propagation.

The CoE RAISE project have received funding from the European Union’s Horizon 2020 – Research and Innovation Framework Programme H2020-INFRAEDI-2019-1 under grant agreement no. 951733

 

 

NANOMEC

(15 April 2021 - 14 April 2023)

Prof. Harmandaris is PI of the Marie Sklodowska-Curie Individual Fellowship “Mechanical Properties of Polymer Nanocomposites via Multi-scale Modelling: Towards Non-classical Properties” NANOMEC that was awarded in 2020. The fellow Dr. Hilal Reda will conduct research for the development of polymer nanocomposites (PNCs) for novel applications, which have attracted considerable interest in recent years due to the enhanced properties of PNCs, including mechanical rigidity, stiffness and toughness, electrical and thermal conductivity, etc. These superior properties, coupled with the fact that PNCs are environmentally friendly, offer unique design possibilities for creating functional materials for emerging applications.

This project has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No 101030430

 

 Further details can be found in Dr. Reda's SimEA group introductory presentation, given in June 2021:

  

 

ENGAGE

(1 January 2022 - 31 December 2026)

CaSToRC is the coordinator of the Marie Sklodowska-Curie PhD programme “Enabling the next generation of computational physicists and engineers” (ENGAGE). It is an interdisciplinary, intersectoral and multi-institutional project offering quality training to a total of 20 doctoral students in the fields of Computational High Energy Physics, Multiscale Systems and Synchrotron Light Applications. It aims to develop students’ competencies in High-Performance Computing, in methodologies at the intersection of Artificial Intelligence and Data Science approaches and Quantum Computing. The SimEA research team contributes strongly in ENGAGE coordinating the multi-scale projects of the program. Prof. Vangelis Harmandaris will supervise two PhD projects titled “Multi-scale simulation methodologies of organic semiconductors for morphology control” and “Modelling and basic understanding of natural molecules with surfaces and nanoparticles” which also include secondments to Novamechanics and FORTH. Assist. Prof. Nikos Savva will supervise one student in the project “Multiscale computational approaches for wetting on soft surfaces” with secondments to the tire company Goodyear.

The ENGAGE programme has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement number 101034267.

 

 

CoDeTHreE

(1 April 2022 - 31 March 2024)

“Controllable Droplet Transport in Heterogeneous Environments” (CoDeTHreE), funded under the RIF's “EXCELLENCE HUBS/0421” call, is coordinated by Assist. Prof. Nikos Savva. In this project, the synergies between applied mathematical analysis, data-driven modelling approaches and large scale simulations are explored for wetting phenomena. The development of novel modelling and computational tools in the form of open-source software will enhance our fundamental understanding of how to control droplet transport in complex environments. Furthermore, several industrially relevant scenarios will be investigated, aspiring to contribute towards a more cost-effective development of new technologies and the optimisation of existing ones. A postdoctoral associate Dr. Panayiotis Yiannis Vrionis started in June 2022. He is involved in the development of numerical algorithms used for the simulation of droplet transport in heterogeneous environments. A PhD student is expected to join the team by the beginning of the next academic year.

 

MELOMANES

“Combination Therapy for the Treatment of Metastatic MELanOma Using MAgnetic NanoparticlES” (MELOMANES) is a Marie Skłodowska-Curie Doctoral Network that was recently awarded. In this project, CaSToRC focuses on computational and in silico approaches that will be used to extract the maximum knowledge possible from experimental datasets and facilitate the establishment of statistically significant relationships between measured biological activity profiles of the Fe@CNT conjugates and their physical, chemical, and other properties, either measured experimentally or computed from the structure of the conjugates. The project is coordinated by the Centre National de la Recherche Scientifique. The CyI PI is Prof. Vangelis Harmandaris and he will co-supervise one PhD student together with Cypriot company Novamechanics.

This project has received funding from the European Union’s research and innovation programme under the Marie Skłodowska-Curie Doctoral Networks action and grant agreement No 101073025.

 

AQTIVATE 

The Marie Skłodowska-Curie Doctoral Network project “Advanced Computing, Quantum Algorithms, and Data-driven Approaches for Science, Technology, and Engineering” (AQTIVATE) was recently awarded. It aims to deliver an interdisciplinary training programme for fifteen fellows, who will learn to utilise high performance computing, develop scalable algorithms and machine learning approaches, and explore quantum computing for research projects in physics, engineering and biology. Assist. Prof. Nikos Savva played a key role in the proposal. He will supervise a PhD student in a project involving TELECOM Paris and Rome Tor Vergata. The student will explore the synergies of AI methods and computational fluid dynamics.

This project has received funding from the European Union’s research and innovation programme under the Marie Skłodowska-Curie Doctoral Networks action and grant agreement No 101072344.

 

ML-NANOCAT

“Machine Learning Aided Design of Novel NANOCATalytIc Materials” (ML-NANOCAT) is coordinated by Prof. Vangelis Harmandaris and carried out together with CyI research centre CARE-C and Cypriot Company Novamechanics. The overall goal of ML-NANOCAT is to realise breakthroughs in catalysis, enabling a new generation of catalytic materials for CO2 reduction, via a synergistic approach that involves multi-scale computational modelling, advanced machine learning (ML) algorithms and tailored design of novel catalysts.

The Project CODEVELOP-GT/0322/0093 is funded by the European Union - NextGenerationEU, through the Research and Innovation Foundation. 

 

ASPERIUM 

(December 2023 - June 2026)

CyI participates as a partner in the project  “Advanced Spectroscopy Research Unit for Sustainable Light Management” (ASPERIUM). This is a small-scale infrastructure project funded by the RIF and coordinated by the Cyprus University of Technology (CUT). The primary objective of this project is to develop innovative approaches to light management for materials dedicated to clean energy and green transition. CyI plays a pivotal role in developing models, simulations, and machine learning (ML) models specifically tailored for the study of charge transport in organic materials related to green energy. This involvement positions CyI as a key player in advancing the understanding and application of sustainable light management technologies.The CyI Principal Investigator is Prof. Vangelis Harmandaris.

 

ECHOLAYER

(January 2024 - December 2025)

CyI participates in the the ECHOLAYER project, a “Research in Enterprises” grant funded by the RIF and coordinated by Amadema. The overarching goal of ECHOLAYER is to create advanced soundproofing materials that contribute to a quieter and more comfortable living environment. By focusing on sustainable nanofibers, the project aims to redefine the landscape of sound insulation technology. CyI's expertise comes to the fore with its emphasis on predicting the mechanical behavior of composites. This involves the application of multi-scale approaches, integrating atomistic and continuum simulations. By doing so, CyI aims to contribute valuable insights into the design and optimization of soundproofing materials, paving the way for more effective and sustainable solutions. The CyI Principal Investigator is Dr Hilal Reda.