Modeling/simulations of molecular systems

The SimEA research team will be hosting an online training event that aims to introduce you to modelling and simulations using supercomputers. The training will consist of the following topics:

  • Create a molecular configuration by minimising the energy of a system
  • Calculate the energy of a molecular system using Density Functional Theory (DFT)
  • Analyse the physical movement of molecules using molecular dynamics (MD)
  • Use machine learning/deep learning to reduce the computational complexity of atomic structure calculation- predict atomic structures using coarse-grained configurations.

Recordings of this training event are available here: https://www.youtube.com/playlist?list=PLBJMOOBU0RMeaNbpviGJ0ohgHLKKKtc2g 


14/10/2021 - 16/10/2021 

 MicrosoftTeams-image_5.jpeg  MicrosoftTeams-image_4.jpeg The Cyprus Institute participated in the Reflect Festival 2021
"an event that celebrates the future, highlights tech advancements,
and brings forward the best of innovation while connecting the doers
from Europe and the Middle East".



A warm welcome to two visiting PhD students from the University of Crete, Eirini Gkolfi and Maria Arnittali.



Yet another group of excellent researchers lined up for the SimEA seminar series in the Autumn semester...please do join us! For further information, please visit our meetup page: https://www.meetup.com/high-performance-computing-cyprus/.



3/07/2021 - 10/07/2021

NANOTEXNOLOGY 2021 (Thessaloniki, Greece) - Presentation to be given by Prof. Vangelis Harmandaris. 


28/06/2021 - 30/06/2021

UNCECOMP 2021 (streamed from Athens, Greece) - 4th International Conference on Uncertainty Quantification in Computational Sciences and Engineering: Presentation to be given by Prof. Vangelis Harmandaris. 


28/06/2021 - 29/06/2021 

Training for industry: "AI and HPC for Industry". More information about the event can be found here: http://castorc.cyi.ac.cy/events/training-for-industry-06-2021


17/05/2021 - 28/05/2021

SIAMMS21 (virtual) - SIAM Conference on Mathematical Aspects of Materials Science. Participation of Prof. Vangelis Harmandaris.  



After a successful run of seminars in the Spring semester, we have another group of outstanding researchers lined up for the SimEA Seminar Series in the Summer semester. For a detailed list of our upcoming seminars, please see our poster below. Also, should you wish to recieve notifications on these events, please feel free to join our meetup group: https://www.meetup.com/high-performance-computing-cyprus/.



All recordings of past seminars can be found in the Seminar Series tab.



A warm welcome to Dr. Hilal Reda who has been awarded a Marie Curie Individual Fellowship to work on the project "NANOMEC" under the supervision of Prof. Vangelis Harmandaris. 



Women in Applied Mathematics worshop: Presentation given by Dr. Petra Bacova titled "Connecting mathematics, chemistry and physics: on modelling of complex polymer materials" (https://drive.google.com/file/d/1jboExBUl6cUGYi35TRD5657xEti6ui79/view).



Participation in European Researcher's Night - the SimEA research team has contributed two videos towards this years event.



Commencement of seminar series: Inaugural seminar given by the ERA chair, Professor Harmandaris, titled "Computational Science and Engineering of Complex Materials: The SimEA ERA Chair Initiative". This seminar is available at: https://www.youtube.com/watch?v=XQsGHkYkX1s&feature=youtu.be



We are pleased to announce a number of additions to the SimEA team this month! Welcome to our two new PhD students, Eleftherios Christofi and Nikolaos Patsalidis. We would also like to welcome the Innovation Scout of CaSToRC, Dr Christos Christodoulou, and the Scientific Coordinator, Dr Kathy Christoforou, who will be part of the Management and Innovation Office in CaSToRC. Wishing you all a fruitful journey at CyI!



We are proud to announce that the first summer internships have started work under the guidance of Assist. Prof. Nikos Savva:

  • Eleanor Krige working on the project "Parameter Estimation for Wetting Hydrodynamics using Machine Learning Techniques".
  • Anastasia Polyviou and Savvas Shiakas working on the project "Iterative solvers for nonlinear partial differential equations".



We are excited to announce the recruitment of Dr Panayiota Katsamba for the SimEA post-doc position! Under the guidance of Prof. Harmandaris, she will be involved in the area of multiscale modelling of solid/liquid interfaces. Welcome Panayiota! Wishing you an amazing journey at CyI!