Workshop on Computational Modeling of Materials, Devices & Processes

workshop computational


The rise of high-performance computing, the development of novel computational approaches, and the application of modern algorithms mark a new era for the characterization, property tuning and discovery of materials. This Workshop will explore state-of-the-art methodologies and approaches for the modelling and optimization of materials, the material's behavior and/or nano-device manufacturing processes, as well as multiscale computational approaches that can play a key role towards the further advancement of the corresponding technologies and enable the manufacturing and characterization of breakthrough devices and systems.

During the Workshop a series of Invited talks, Oral and Poster presentations will be given covering different computational approaches (ranging from the atomic to the macro-scale or multiscale) applied on a broad range of subjects.

The Workshop includes (but are not limited to) Theoretical and Computational approaches to the following topics:

  • Computational materials design and discovery
  • High-throughput methods for materials characterization
  • Machine learning applications for materials
  • Material properties and processes at the nano-scale
  • Diffusion and film growth
  • Photonics, plasmonics, phononics and electronics
  • Strongly correlated electron systems, magnetism and spintronics
  • Multiscale modeling of devices and processes
  • Graphene and related 2D materials
  • Inorganic & Hybrid halide perovskites
  • Organic materials and properties
  • Organic electronic devices
  • Charge-transfer & exciton dynamics at hetero-interfaces

Workshop International Organizing Committee

Dr. George Volonakis (Chair), Oxford University, UK
Prof. Eleftherios Lidorikis, University of Ioannina, Greece
Prof. Pantelis Kelires, Cyprus University of Technology, Cyprus
Prof. Milan Damnjanovic, University of Belgrade, Serbia
Prof. Yvan Bonnassieux, LPICM, Ecole Polytechnique, CNRS, France

Organised by:

cornet logo EU H2020-CORNET: "Multiscale Modelling and Characterization to optimize the Manufacturing processes of Organic Electronics materials and devices" (

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