Ioannis Remediakis

Name Ioannis Remediakis
Work Groups Work Group 4 - Theory
Laboratory Computational Materials Science
Organisation University of Crete
Areas of Research catalysis, shape of nanoparticles, nanotubes, electronic excitations within DFT
Research Keywords DFT, catalysis, nanoparticles, carbon, superhard

Areas of Future Interest nanostructured polymers, soft/hard condensed matter interfaces

  • Softening of ultra-nanocrystalline diamond at low grain sizes
  • Insights into the fracture mechanisms and strength of amorphous and nanocomposite carbon
  • Ammonia synthesis from first-principles calculations
  • CO oxidation on rutile-supported Au nanoparticles
  • Brief CV
    Ioannis N. Remediakis is an Assistant Professor of Computational Materials Science at the Department of Materials Science and Technology, University of Crete, Greece.
    Together with G. Kopidakis, he leads a “Materials Theory” group of one adjunct professor, one staff member and four students. His research focuses on atomistic models for nanomaterials and complex processes, including superhard materials and catalysis.

    Ioannis graduated from the Department of Physics, University of Crete in 1997. He got his masters (1998) and PhD (2002) from the same Department, having performed most of his PhD research at Harvard with Prof. Kaxiras. His thesis was co-supervised by Prof. Kelires from Crete. He has worked for two years with Prof. Nørskov at CAMD in Denmark. He has worked as a visiting Professor at the Department of Materials Science and Engineering, University of Ioannina, Greece and the Department of Physics, University of Crete, Greece.

    His research falls into the broad subject of electronic structure theory, and aims to make the giant leap between quantum states of single electrons to macroscopic physical or chemical properties of complex materials. Employing quantum-mechanical simulations and using simple materials and model processes as probes, we seek to establish universal relations governing the properties of matterials, as well as their response to external fields. Such laws are of crucial importance to the design of new materials that cover specific technological needs.

    Prof. Remediakis employs computer simulations in the fields of surface chemistry (adsorption, heterogeneous catalysis), nano-chemistry (shape and properties of metal nanoparticles), nano-physics (properties of nanocrystalline solids) and solid-state physics (mechanical properties of superhard ceramics). He has so far (1/2010) published 20 papers that have been cited about 500 times.