Lab for Thin Films - Nanobiomaterials - Nanosystems - Nanometrology


LTFN has a strong expertise in multiscale Computational Modeling from nano- to macro- with the target to understand the growth mechanisms and properties of novel materials, materials’ behavior and/or nano-device manufacturing processes with the target to enable the reliable large-scale manufacturing of devices and systems.

The Computational modeling capabilities of LTFN include:

  • Bottom-up modeling approach using First principles calculations (DFT)
  • Modeling and analysis methods of structural, optical and vibrational properties of isotropic/anisotropic nanomaterials, 2D materials, nanoparticles, polymers, inorganic/organic hybrid systems
  • Optoelectronic modeling of OE devices (OPVs, OLEDs, OTFTs, etc.)
  • Optical Engineering for OE devices and Optical Systems
  • Modeling of nanomechanical response of multilayered structures

First principles calculations demand lots of computational resources and computer time. HPC infrastructures, such as Hellasgrid [] and hpc grnet [], consisting of a large number of computers with high-speed internode communication, are necessary to perform such calculations in resonable time.

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