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  • Katherine Hollingsworth

MedeA Workshop - Lodz, Poland

Join us in Lodz, Poland

Venue: Lodz University of Technology, Faculty of Electrical, Electronic, Computer and Control Engineering
When: 10-11 April 2014

In the future, relevant structural features of electronic devices will have sub-nanometer scale and interactions of individual atoms will be important. Hence, the insight and understanding gained by simulations on the atomic scale are indispensable and set the stage for the development of innovative materials concepts. Graphene is among the candidate materials for post-silicon electronics. The workshop will provide an overview and hands-on experience of computational approaches to quantitatively predict intrinsic properties of graphene and closely related carbon allotropes, such as nanoribbons and graphite. Other application examples encompass the accurate description of model systems of electronic devices that have graphene as an integral part. The numerical methods that will be applied are based on quantum mechanics, density functional theory (DFT), and classical mechanics.

Join us for a hands-on training exercise using the MedeA software environment. MedeA comprises experimental structure databases, building tools to construct complex models of solids, surface, and interfaces for both crystalline and polymer systems, graphical analysis and visualization tools, and automated modules for the calculation of thermodynamic, structural, electronic, mechanical, vibrational, and transport properties. In particular, MedeA integrates the state-of-the-art numerical computer programs VASP, Phonon, LAMMPS and MOPAC.

More information on the MedeA platform and related computational methods are available on the Materials Design, Inc. website

Participation in the workshop is free of charge and the number of participants is limited by the size of the teaching laboratory. Attendees cover their own travel expenses.

  • Electronic, vibrational, and transport properties of nanoribbons, graphene, and graphite

  • Effects of defects on graphene properties

  • Graphene formation on Cu(111) surface

  • Structural and electronic properties of epitaxially grown graphene layers on SiC substrate and sandwiched by SiC and SiO₂

  • Relativistic description of Pt on graphene monolayers supported on a Ni(111) substrates

We hope to see you there!
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