University οf Ioannina (UοI)

Description

The University of Ioannina (UoI) was established in 1964 and is one of the 4 largest Universities in Greece. It roughly has 21.000 students, 585 academic staff and 300 teaching and technical staff. Of the students there are approximately 1,500 MSc and 2,500 PhD students.

In 2019 the University Research Center of Ioannina was established with three Institutes, one of them the Institute for Materials Science and Computing (IMSC) with mission to conduct basic and applied research in the field of Materials Science, including design and development of new materials and technologies, material characterization, materials engineering and applications as well as analytical and numerical modeling. The MUSICODE modelling activities will be performed by the Computational Materials Science Laboratory (CMSL), which is established in the Department of Materials Science and Engineering of UoI and member of the IMSC institute. Started in 2004, it comprises of 3 faculty, 3 research staff and over 10 Postdocs and PhD students.

The CMSL group has participated in several EU Projects (FP7-NMP-2012-LARGE-6 "SMARTONICS", FP7-ICT-2013-FET-F "GrapheneFlagship", FP7-PEOPLE-2010-ITN "BioTiNet", H2020-Adhoc-2014-20 (RIA) "GrapheneCore1", H2020-MSCA-ITN-2014 "SELECTA") and a number of National Projects.

Expertise related to the project

CMSL has world leading expertise in multiscale and multiphysics modeling of nanomaterials, starting from the atomic and molecular state with ab-initio (DFT) studies of electronic structure, bonding, interactions and catalysis of organic and inorganic nanomaterials, to mesoscale studies of structural order, protein folding/unfolding, stress analysis and deformation, to macroscale modeling of photonic and/or plasmonic organic and/or graphene-based optoelectronic devices. World leader in numerical non-linear optimization techniques and long experience in algorithm and software development.

Description of profile of key staff

Prof. Elefterios Lidorikis (M)
BSc in Physics, PhD in Computational Condensed Matter Physics from Iowa State University, USA. Postdoctoral research in Louisiana State University and Massachusetts Institute of Technology and Senior Design Engineer in Luminus Devices Inc, USA before joining UoI. He leads the CMSL group and is deputy-director of IMSC.

Prof. Dimitrios Papageorgiou (M)
Associate Professor of Computational Materials Science. BSc in Physics, PhD in Chemistry from University of Ioannina. He is specialist in (i) ab-initio electronic structure calculations, (ii) molecular dynamics and Monte Carlo techniques for organic electronicnanomaterials, (iii) non-linear optimization techniques.

Dr. Charalampos Trapalis
An adaptable researcher seeking to improve and learn new skills in computational materials science. Main research interests include development of molecular dynamics (MD) forcefields and simulations of MD and coarse grain dynamics with a focus on small organic molecules and oligomers of organic photovoltaics at the interface with metallic substrates, as well as the development of tools for the study of the resulting structures.

Dr. Angelos Mourkas
Material Science Engineer in Electronics and Magnetic Materials department. His expertise is in materials manufacturing, experimental validation and micromagnetic simulations. He will assist in project management and experimental validation. He will be organizing various aspects of the program.

Ms Maria Andrea (F)
Physicist, MSc in Computational Physics, PhD student in the CMSL. Her expertise is in electronic structure calculations with density functional theory (DFT) on organic electronic materials calculating HOMO-LUMO states, interaction energies, reorganization energies, partial charge configurations. Extensive experience in large scale computations in HPCs. She will take over the electronic calculations for CMSL.

Mr Konstantinos Kaklamanis (M)
Physicist, MSc in Computational Physics, PhD student in the CMSL. His expertise is in stochastic processes in materials focusing on charge transport in disordered organic semiconductors with kinetic Monte Carlo methods employing Marcus theory. Extensive experience in analysing electrostatics and polarization screening, disorder and trap effects in OE materials. He will take on the stochastic charge transport calculations for CMSL.

Mr Konstantinos Kordos (M)
Physicist, MSc in Computational Physics, PhD student in the CMSL. His expertise is in atomistic molecular dynamics simulations, including atomistic classical force-field construction from DFT results, evolution and relaxation of molecular assemblies in different thermodynamic constraints. Extensive experience with organic semiconducting molecules.