Department of Materials Science and Engineering University of Ioannina School of Engineering
 
 
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PHOTO Dimitris Papageorgiou
Associate Professor
Computational Methods in Materials Science

LOCATION Administration Building, 1st floor, Office Π11
EMAIL dpapageo@uoi.gr
PHONE +30-265100-7373 (Office)
WEB Webpage
Academic Titles
Educational & Professional Experience
Teaching Activities in the Department
Research Interests
Representative Publications

Academic Titles
  • Diploma of Physics, University of Ioannina, Greece (1989)
  • Ph.D., Department of Chemistry, University of Ioannina, Greece (1997)
Educational & Professional Experience
  • Associate Professor of «Computational Methods in Materials Science with emphasis on Molecular Dynamics Simulation», Department of Materials Science and Engineering, University of Ioannina, Greece (2012-)
  • Assistant Professor of «Computational Methods in Materials Science with emphasis on Molecular Dynamics Simulation», Department of Materials Science and Engineering, University of Ioannina, Greece (2003-2012)
  • Assistant Professor (fixed term contract), Department of Materials Science and Engineering, University of Ioannina (1999-2003)
Teaching Activities in the Department
  • Computers I
  • Computers II
  • Simulation and materials design methods using computers
  • Computational methods in complex systems
  • Fabrication, structure and properties of optoelectronic and magnetic materials and devices (MSc program «Technologies of Advanced Materials»)
  • Advanced computational methods in materials science (MSc program «Technologies of Advanced Materials»)
Research Interests
  • Development, application and software of computational methodologies in materials science.
  • Classical atomistic simulation and calculations from first principles.
  • Numerical methods for local and global optimization.
  • Parallel methods for large scale computations.
  • Molecular Dynamics simulation in metallic and organic materials for the study of structural, mechanical, and transport properties.
  • Classical interaction potentials and parameterization.
  • Multiscale hierarchical simulations in organic electronic materials.
Representative Publications
  • Fluorination and chlorination effects on the charge transport properties of the IDIC non-fullerene acceptor: an ab-initio investigation, M. Andrea, K. Kordos, E. Lidorikis, D.G. Papageorgiou, EPJ Photovoltaics 13 (2022) 15.
  • Molecular description of charge transport in the IDIC non-fullerene acceptor for organic solar cells, M. Andrea, K. Kordos, E. Lidorikis, D.G. Papageorgiou, Comput. Mater. Sci. 202 (2022) 110978.
  • Structural and energetic properties of P3HT and PCBM layers on the Ag(111) surface, Ch. Trapalis, E. Lidorikis, D.G. Papageorgiou, Comput. and Theor. Chem. 1190 (2020) 112997.
  • Graphene nano-flakes on Cu low-index surfaces by density functional theory and molecular dynamics simulations, A. K.Balerba, A. Kotanidis, A. Paraskeuas, M. Gialampouki, J.J. Gutiérrez Moreno, D.G. Papageorgiou, G.A. Evangelakis, Ch.E. Lekka, Frontiers of Nanosience, 17 (2020) 141.
  • An ab initio study of the structural and mechanical alterations of Ti-Nb alloys, J.J. Gutiérrez Moreno, D.G. Papageorgiou, G.A. Evangelakis, Ch.E. Lekka, J. Appl. Phys. 124 (2018) 245102.
  • Ab-initio and experimental study of phase stability of Ti-Nb alloys, J.J. Gutiérrez Moreno, M. Bönisch, N.T. Panagiotopoulos, M. Calin, D.G. Papageorgiou, A. Gebert, J. Eckert, G.A. Evangelakis, Ch.E. Lekka, J. Alloyes Compounds 696 (2017) 481.
  • A parallel hybrid optimization algorithm for fitting interatomic potentials, C. Voglis, P.E. Hadjidoukas, D.G. Papageorgiou, I.E. Lagaris, Appl. Soft Comput. 13 (2013) 4481-4492.
  • Clustering, microalloying and mechanical properties in Cu/Zr-based glassy models by molecular dynamics simulations and ab-initio computations, Ch.E. Lekka, G.B. Bokas, G.A. Almyras, D.G. Papageorgiou, G.A. Evangelakis, J. Alloys and Compounds 536S (2012) S65-S69.
  • Structural role of RKS motifs in chromatin interactions: A molecular dynamics study of HP1 bound to a variably modified histone tail, G.V. Papamokos,G. Tziatzos, D.G. Papageorgiou, S.D. Georgatos, A.S. Politou, E. Kaxiras, Biophysical Journal 102 (2012) 1926-1933.
  • Structural and electronic properties of small bimetallic Ag-Cu clusters, D.A. Kilimis, D.G. Papageorgiou, Eur. Phys. J. D 56 (2010) 189-197.
  • Density functional study of small bimetallic Ag-Pd clusters, D.A. Kilimis, D.G. Papageorgiou, J. Mol. Struct. THEOCHEM 939 (2010) 112-117.
  • Structural characteristics of CuxZr100-x metallic glasses by Molecular Dynamics Simulations, A.E. Lagogianni, G. Almyras, Ch.E. Lekka, D.G. Papageorgiou, G.A. Evangelakis, J. Alloys and Compounds 483 (2009) 658-661.
  • Neural network methods for boundary value problems with irregular boundaries, I.E. Lagaris, A.C. Likas, D.G. Papageorgiou, IEEE Trans. Neural Networks 11 (2000) 1041-1049.
  • The Merlin Control Language for strategic optimization, D.G. Papageorgiou, I.N. Demetropoulos, I.E. Lagaris, Comput. Phys. Commun. 109 (1998) 250-275.
  • Merlin-3.0. A multidimensional Optimization Environment, D.G. Papageorgiou, I.N. Demetropoulos, I.E. Lagaris, Comput. Phys. Commun. 109 (1998) 227-249.
  • An efficient Chebyshev-Lanczos method for obtaining eigensolutions of the Schrodinger equation on a grid, M. Braun, S.A. Sofianos, D.G. Papageorgiou, I.E. Lagaris, J. Comput. Phys. 126 (1996) 315-327.
Published Scientific Software
  • p-MEMPSODE: Parallel and irregular memetic global optimization, C. Voglis, P.E. Hadjidoukas, K.E. Parsopoulos, D.G. Papageorgiou, I.E. Lagaris, M.N. Vrahatis, Comput. Phys. Commun. 197 (2015) 190., Associated software in the CPC Program Library: AEXJ_v1_0, DOI: 10.1016/j.cpc.2015.07.011
  • MEMPSODE: A global optimization software based on hybridization of population-based algorithms and local searches, C. Voglis, K.E. Parsopoulos, D.G. Papageorgiou, I.E. Lagaris, M.N. Vrahatis, Comput. Phys. Commun. 183 (2012) 1139-1154., Associated software in the CPC Program Library: AELM_v1_0, DOI: 10.1016/j.cpc.2012.01.010
  • A numerical differentiation library exploiting parallel architechtures, C. Voglis, P.E. Hadjidoukas, I.E. Lagaris, D.G. Papageorgiou, Comput. Phys. Commun. 180 (2009) 1404-1415., Associated software in the CPC Program Library: AEDG_v1_0, DOI: 10.1016/j.cpc.2009.02.004
  • NDL-v2.0: A new version of the numerical differentiation library for parallel architectures, P.E. Hadjidoukas, P. Angelikopoulos, C. Voglis, D.G. Papageorgiou, I.E. Lagaris, Comput. Phys. Commun. 185 (2014) 2217-2219., Associated software in the CPC Program Library: AEDG_v2_0, DOI: 10.1016/j.cpc.2014.04.002
  • PANMIN: Sequential and parallel global optimization procedures with a variety of options for the local search strategy, F.V. Theos, I.E. Lagaris, D.G. Papageorgiou, Comput. Phys. Commun. 159 (2004) 63-69., Associated software in the CPC Program Library: ADSU_v1_0, DOI: 10.1016/j.cpc.2003.11.001
  • A programmable optimization environment using the GAMESS-US and MERLIN/MCL packages. Applications on intermolecular interaction energies, F.G. Kalatzis, D.G. Papageorgiou, I.N. Demetropoulos, Comput. Phys. Commun. 175 (2006) 359-371., Associated software in the CPC Program Library: ADYB_v1_0, DOI: 10.1016/j.cpc.2006.04.009
  • A programmable optimization environment using the GAMESS-US and MERLIN/MCL packages. Applications on intermolecular interaction energies, F.G. Kalatzis, D.G. Papageorgiou, I.N. Demetropoulos, Comput. Phys. Commun. 175 (2006) 359-371., Associated software in the CPC Program Library: ADYB_v1_0, DOI: 10.1016/j.cpc.2006.04.009
  • CONVUS - An efficient package for calculating three-dimensional convolution-type integrals, I.E. Lagaris, D.G. Papageorgiou, Comput. Phys. Commun. 76 (1993) 80-86., Associated software in the CPC Program Library: ACNI_v1_0 ACNJ_v1_0, DOI: 10.1016/0010-4655(93)90122-S
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