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Molecular Thermodynamics and Modelling of Materials Laboratory (MTMML)
Institute of Physical Chemistry,  National Center for Scientific Research "Demokritos"
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Past PhD projects


15. Marianna Yiannourakou, April 2009.
 “Thermodynamic, Structural and Dynamic Properties of Soft Materials Using Coarse-Grained Simulations”.
Ph.D. granted from the School of Chemical Engineering, National Technical University of Athens, Greece.


14. Zoi Makrodimitri, March 2009.
“Molecular Dynamics Simulation of Microscopic Structure and of Physicochemical Properties of Elastomeric Polymers”.
Ph.D. granted from the Department of Chemistry, University of Athens, Greece.

13. Eirini Karakatsani, May 2007.
"Development and Evaluation of a New Equation of State for Polar Fluids: Pure Components and Mixtures".
Ph.D. granted from the School of Chemical Engineering, National Technical University of Athens, Greece.

12. Niki Vergadou, November 2006.
"Prediction of Gas Permeability of Inflexible Amorphous Polymers via Molecular Simulation".
Ph.D. granted from the Department of Chemistry, University of Athens, Greece.

11. Efthimia Tritopoulou, November 2005.
"Calculation of Phase Equilibria of Water-Soluble Polymers Using Molecular Simulation and Macroscopic Models".
Ph.D. granted from the School of Chemical Engineering, National Technical University of Athens, Greece.

10. Nikolaos P. Kopsias, May 2005.
"Molecular Simulation of Structure Relaxation Phenomena in Inorganic and Polymeric Glassy Materials",
Ph.D. granted from the Department of Chemical Engineering, University of Patras, Greece.

9. Vasilios E. Raptis, February 2004.
"Calculation of Structure and Thermodynamic Properties of Polymers Containing Silicon and Hydrocarbon Transport Parameters in these Polymers with Molecular Simulation".
Ph.D. granted from the Department of Chemistry, University of Athens, Greece.

8. Loukas Peristeras, February 2004.
"Calculation of Structure, Thermodynamic Properties and Phase Equilibria of Polyolefin Mixtures with Variable Molecular Architecture Using Monte Carlo Simulation Methods".
Ph.D. granted from the Department of Chemistry, University of Athens, Greece.

7. Konstantinos Makrodimitris, November 2002.
"Atomistic and Mesoscopic Simulations of Structure, Sorption and Diffusion in Microporous Materials",
Ph.D. granted from the School of Chemical Engineering, National Technical University of Athens, Greece.

6. Constantin S. Chassapis, March 2001.
"Study of Diffusion Mechanisms of Small Molecules in Polymers Using Molecular Dynamics",
Ph.D. granted from the Department of Chemistry, University of Athens, Greece.

5. Georgios K. Boulougouris, February 2001.
"Phase Equilibria of Water - Hydrocarbon Mixtures Using Molecular Simulation and Molecular Theory".
Ph.D. granted from the School of Chemical Engineering, National Technical University of Athens, Greece.

4. Christina T. Samara, December 2000.
"Simulation of Polypropylene of Variable Tacticity Using Monte Carlo Method",
Ph.D. granted from the Department of Chemical Engineering, University of Patras, Greece.

3. Evangelia I. Zervopoulou, May 2000.
"Development and Application of New Monte Carlo Simulation Methods for the Efficient Relaxation of Polymer Melts of High Molecular Weight and Solubility of Oligomers Therein",
Ph.D. granted from the Department of Chemical Engineering, University of Patras, Greece.

2. Stelios I. Antoniadis, March 1999.
"Simulation of Polypropylene of Variable Tacticity Using Molecular Dynamics",
Ph.D. granted from the Department of Chemical Engineering, University of Patras, Greece.


1. Theodora M. Spyriouni, September 1998.
"Thermodynamic Properties and Phase Equilibria of Pure Polyethylene and Its Mixtures with Light Solvents Using Molecular Simulation".
Ph.D. granted from the Department of Chemical Engineering, University of Patras, Greece.


Molecular Thermodynamics and Modelling of Materials Laboratory (MTMML)
Institute of Physical Chemistry,  National Center for Scientific Research "Demokritos" ,  Aghia Paraskevi, 15310 Greece