Commencement of seminar series - inaugural lecture by the ERA chair Prof V. Harmandaris

Date: 5 November 2020

Time: 16:00

Title: Computational Science and Engineering of Complex Materials: The SimEA ERA Chair Initiative.


The ERA Chair project “Modeling and Simulation for Engineering Applications” (SimEA), funded by EU, refers to a new initiative at CaSToRC of CyI, regarding the challenges and opportunities arising when advanced computing and data science are utilised to solve engineering problems. The research team, led by ERA Chair Prof. V. Harmandaris, will work on the development of mathematical and computational methodologies for complex molecular systems, with important applications in nano/bio technology.

The team will pursue a program of research excellence and innovation by applying and developing mathematical and computational methods, including multiscale modeling, physics-based and/or data-driven molecular models, uncertainty quantification, and machine learning methods, integrated with High-Performance Computing, for tackling challenging problems in different application areas related to Computational Science and Engineering.  Examples include a broad range of systems/materials of great scientific and technological interest, such as nanocomposites, polymers, graphene-based nanostructured materials, proteins, and biomolecular systems.
In this inaugural seminar of the seminar series under the SimEA, we will give an overview of the main objectives and research topics of the SimEA. Our vision is to create a regional and national hub for advanced computing and its applications at CyI, collaborating with academia and the private sector, across several research areas, such as: (a) Multi-scale Modelling and Simulations of Nanostructured Materials, (b) Data-driven Machine Learning Approaches for Modelling Across Scales, (c) Modelling of Biomolecular Systems for Biotechnology Applications, (d) Statistical Inference for Uncertainty Quantification and Model Selection.

To watch this lecture, please visit the CyI YouTube channel:



Webinar: Bottom-up Approach - From Model Molecular Systems to Complex Polymer Materials

by Dr. Petra Bacova, Post-doctoral researcher, SimEA project, The Cyprus Institute

Date: Tuesday, 24 November 2020

Time: 16:00


Following the lecture of Prof. Harmandaris, a postdoctoral SimEA fellow Dr. Petra Bacova will shed further light on the computational design of advanced materials. The main focus will be on the complex polymer materials, addressing three main questions: WHY these materials are interesting, WHAT their composition is and HOW we can model their properties computationally.

 Seminar Series 24112020 PB

To watch this lecture, please visit the CyI YouTube channel: