|
|
Molecular simulation of matter. Development of classical potential energy hypersurfaces based on Ab Initio quantum mechanical calculations. Diffusion in polymer systems. Chemical Kinetics calculations with the use of quantum mechanical methods. Optimization methods in physics, chemistry and chemical engineering. Development of scientific software employed in molecular and statistical physics and other areas.
PhD, Department of Chemistry, National and Kapodistrian University of Athens, 2004 .
(Research work performed at the Molecular Modelling of Materials Laboratory, Institute of Physical Chemistry, NCSR "Demokritos").
Msc. "Polymer Science with Applications", Department of Chemistry, National and Kapodistrian University of Athens, 2000
Chem. Eng. Diploma, School of Chemical Engineering, NTUA, Athens, 1994
Associate lecturer. Department of Materials Science and Engineering, University of Ioannina, Ioannina, Greece, 2008
Associate lecturer. Department of Engineering, Informatics and Telecommunications, University of Western Macedonia, Kozani, Greece, 2007.
Post-doctoral researcher. Department of Chemistry, University of Ioannina, Ioannina, Greece, 2004 - 2007
Raptis, T. E.; Raptis, T, E,; Samios, J. "A new effective method for quantitative analysis of diffusion jumps, applied in Molecular Dynamics simulations of small molecules dispersed in short chain systems" J. Phys. Chem. B, 2007, 111, 13683.
Makrodimitri, Z. A.; Raptis, V. E.; Economou, I. G. "Molecular Dynamics Simulation of Structure, Thermodynamic and Dynamic Properties of Poly(dimethylsilamethylene), Poly(dimethylsilatrimethylene) and their Alternating Copolymer" J. Phys. Chem. B, 2006, 110, 16047.
Raptis, V. E.; Melissas, V. S. "Force field development for poly(dimethylsilylene-methylene), with the aid of ab initio calculations" J. Phys. Chem. B, 2006, 110, 14929.
Economou, I. G. ; Raptis, V. E.; Melissas, V. S.; Theodorou, D. N.; Petrou, J.; Petropoulos, J. H, "Molecular simulation of structure, thermodynamic and transport properties of polymeric membrane materials for hydrocarbon separation" Fluid Phase Equilib., 2005, 228 - 229, 15.
Alentiev, A.; Economou, I. G.; Finkelshtein, E.; Petrou, J.; Raptis, V. E.; Sanopoulou, M.; Soloviev, S.; Ushakov, N.; Yampolskii, Y. "Transport properties of silmethylene homo-polymers and random copolymers: experimental measurements and molecular simulation" Polymer, 2004, 45, 6933-6944.
Raptis, V. E.; Economou, I. G.; Theodorou, D. N.; Petrou, J.; Petropoulos, J. H. "Molecular Dynamics Simulation of Structure and Thermodynamic Properties of Poly(dimethylsilamethylene) and Hydrocarbon Solubility Therein: Toward the Development of Novel Membrane Materials for Hydrocarbon Separation" Macromolecules, 2004, 37, 1102-1112.