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Webinar: Atomistic Molecular Dynamics Simulations in Graphene

Event Details:

  • Date:         Tuesday, 1 March 2022
  • Time:         Starts: 16:00
  • Venue:       Live streaming of the discussion will be available on Zoom (Password: VsSCz1)
  • Speaker:    Assoc. Prof. George Kalosakas, Materials Science Department, University of Patras

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CaSToRC, the HPC National Competence Centre,
invites you to the SimEA Online Seminar Series

 

The webinar will be in English and the live stream is open to the public.
Live streaming of the discussion will be available on Zoom (Password: VsSCz1)
Images and/or recordings of our open public events may be used by The Cyprus Institute for dissemination purposes including print and digital media such as websites, press-releases, social media, and live streaming.

 


 

About the SimEA project Seminar Series

The SimEA project Seminar Series aims at promoting and disseminating scientific knowledge, focusing on Computational Science and Engineering, by featuring prominent researchers from around the world presenting their views and addressing key questions. 

This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 810660.

 


 

Abstract

In the first part of the presentation the phonon spectra of graphene are calculated through dynamical trajectories obtained by molecular dynamics simulations. Their dependence on temperature or mechanical strain is presented. In the second part, analytical empirical potentials will be presented for efficient atomistic simulations of graphene and then the mechanical response of graphene and graphene nanoribbons of various widths under both tensile and compressive uniaxial load will be discussed.

 

About the Speaker

George KalosakasGeorge Kalosakas is currently an associate professor in the Materials Science Department at the University of Patras, Greece. Previously, he held postdoctoral positions at the Center for Nonlinear Studies & Condensed Matter and Statistical Physics group, Los Alamos National Laboratory, USA, and the Max Planck Institute for the Physics of Complex Systems, Dresden, Germany. He received his Masters and Ph.D in Condensed Matter / Nonlinear Physics at the University of Crete, and a Diploma in Physics at the University of Athens.

His research interests include graphene and other 2D materials, statistical / dynamical / electronic properties of DNA, and Drug release modelling.

 


 

Download the Winter-Spring 2022 Online EuroCC & SimEA Seminar Series Programme here.

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Additional Info

  • Date: Tuesday, 1 March 2022
  • Time: Starts: 16:00
  • Speaker: Assoc. Prof. George Kalosakas, Materials Science Department, University of Patras