PhD Students

Flora Tsourtou

Research summary

Flora Tsourtou received her Diploma in Chemical Engineering from the University of Patras in 2010 and her Master’s in Chemical Engineering also from the same University in 2013. Since then, she is a PhD student in the same Department under the advismenet of Prof. Vlasis G. Mavrantzas. She has been working on the design and efficient implementation of state/of/the/art Monte Carlo algorithms for the simulation of self-assembly and chain self/organization in Soft Matter systems with emphasis on polymers. In her Master’s thesis, she simulated the bulk phase self-assembly of semifluorinated alkanes and resulted in a scientific publication (F.D. Tsourtou, O. Alexiadis, V.G. Mavrantzas, V. Kolonias, E. Housos, “Atomistic Monte Carlo and Molecular Dynamics simulation of the bulk phase self-assembly of semifluorinated alkanes”, Danckwerts Special Issue, Chemical Engineering Science 2015, 121, 32-50). In her PhD, she is extending that work to two more challenging problems: 1. the prediction of nano-scale morphology in polymer semiconductors based on thiophene and alkyl-thiophene as a function of temperature, and 2. the prediction of the secondary structure in polypeptides such as poly-L-alanine in vacuum, solution and melt. The Monte Carlo codes she is developing are optimized to run on Graphics Processing Units (GPUs) or in parallel fashion by implementing MPI. The Monte Carlo and Molecular Dynamics codes that she develops and uses in the course of her PhD thesis research work run on several supercomputing environments available to scientific community.

Education

  • 2013: M.Sc. in Science and Technology of Materials, Department of Chemical Engineering, University of Patras, Greece
  • 2010: Diploma in Chemical Engineering, University of Patras, Greece

Research experience

  • 2013 – present: PhD studies, Department of Chemical Engineering, University of Patras
  • 2011-2013: Master’s degree, thesis “Atomistic Monte Carlo and Molecular Dynamics simulation of the bulk phase self-assembly of semifluorinated alkanes“, supervised by Prof. Vlasis G. Mavrantzas

Awards-honors-fellowships

  • PRACE DECI-12 Award: Allocation of 1.500.000 CPU hours by PRACE (2014)

Emmanuel N. Skountzos

Research summary

Modeling and simulation in soft matter systems. Study of the effects on the structural, dynamical, rheological and mechanical properties of polymeric systems (i.e. PMMA and PEO) enhanced with different kinds of nanomaterials (e.g. graphene, graphene oxide, silica etc.) by applying large-scale atomistic Molecular Dynamics simulations. Multiscale modeling of the agglomeration phenomenon (silica & fullerenes as nanoparticles) in the gas phase using both the Monte-Carlo and the Molecular Dynamics techniques. Study of the structural, thermodyncamic and packing properties of organic semiconducting polymers i.e. P3HT, PQT, PBTTT etc.

Education

  • 2013-present:  Ph.D., Department of Chemical Engineering, University of Patras
  • 2011-2013:       Master of Science, Department of Chemical Engineering, University of Patras
  • 2004-2010:       Diploma in Chemical Engineering, Department of Chemical Engineering, University of Patras

Research experience

  • March 2016: Visiting Researcher at the Particle Technology Laboratory of the Mechanical and Process Engineering Department at the Swiss Federal Institute of Technology (ETH Zurich) in Zürich, Switzerland.
  • 2013-present: PhD studies, thesis “Detailed atomistic modeling and simulation of the structural, dynamical, mechanical and rheological properties of graphene-based polymer nanocomposites“, supervised by Prof. Vlasis G. Mavrantzas
  • 2011-2013: MSc studies, thesis “Atomistic Modeling and Simulation of the Mechanical Properties of sPMMA – Graphene Nanocomposites“, supervised by Prof. Vlasis G. Mavrantzas

Awards-honors-fellowships

  • Cover Page at ACS Macroletters Journal: volume 5, issue 1 (2016)
  • HPC-ARIS 2nd Production Call Award: Allocation of 1.900.000 CPU hours under the project “RINGPOLY” (2015)
  • Cover Page at Macromolecules Journal: volume 47, issue 24 (2014)
  • Award of excellence to the top three student of the 2011 class during the graduate studies of the Chemical Engineering Department of the University of Patras by the LIMMAT foundation, Switzerland. The Award was followed by money prize. (2014)
  • HPC-ARIS 1st Pilot Call Award: Allocation of 1.100.000 CPU hours under the project “NanoComp” (2014)
  • PRACE DECI-12 Award: Allocation of 1.500.000 CPU hours by PRACE (2014)
  • Fellowship for postgraduate studies provided by the ICEHT/FORTH Institute (2013)
  • Fellowship for postgraduate studies provided by the University of Patras (2012)

Professional activities

  • Materials Research Society, member
  • Technical Chamber of Greece, member

Panagiotis Alatas

Research summary

The scientific interest of Panagiotis is classified in two main sections:

  • The field of the first section is related to the study of quantum mechanical systems using modern (alternative) theoretical and computational methods.
  • The second section of the scientific research is associated with the relation of structure – properties of soft matter materials, focusing on ring polymer melts, by implementing classical molecular dynamics simulations. 

Education

  • 2014: MSc in Chemical Engineering, Department of Chemical Engineering, University of Patras
  • 2010: Diploma in Chemical Engineering, Department of Chemical Engineering, University of Patras

Research experience

  • 2014 – present: PhD student, Department of Chemical Engineering, University of Patras
  • 2011-2014: MSc studies, thesis “Application of a Non-Linear Thermodynamic Master Equation to Three-Level Quantum Systems “, supervised by Prof. Vlasis G. Mavrantzas

Awards-honors-fellowships

  • Best Poster Award, 11th Hellenic Polymer Society International Conference POLYCONF11, Heraklion, Greece (2016)

Professional activities

  • Technical Chamber of Greece

Panagiotis Mermigkis

Research summary

Panagiotis’ scientific interests lie in the modeling of nanocomposite materials. In particular, as a member of the group, his work focuses on the study of several properties of PMMA matrices, enhanced with Carbon Nanotubes and Graphene sheets. More specifically, he is aiming at the design of novel polymer membranes with embedded CNTs, which hold the key to the more efficient wastewater treatment. He also investigates the improvement of PMMA matrices as far as the mechanical properties are concerned, in the presence of graphene sheets.

Education

  • 2015 – present: Ph.D. student, Chemical Engineering, University of Patras
  • 2015: Master, in Chemical Engineering, University of Patras
  • 2014 – present: Student, department of Mathematics, University of Patras
  • 2011: Diploma in Chemical Engineering, University of Patras

Research experience

  • 2015 – present: Phd studies, Department of Chemical Engineering, University of Patras
  • 2011-2014: Master studies, thesis “Determination of water effective diffusivity within CNT/PMMA based nanocomposite membranes from kinetic Monte Carlo simulations“, supervided by Prof. Vlasis G. Mavrantzas

Awards-honors-fellowships

  • Award of academic excellence for fulfilling the requirements for his graduate courses in 2013/14 with the highest GPA in his class of the Department of the Department of Chemical Engineering at the University of Patras.

Professional activities

  • Technical Chamber of Greece

DIMITRIS MINTIS

Research summary

The current research activity of the PhD fellow is the development and the implementation of molecular simulation tools, such as Molecular Dynamics and Monte Carlo, in order to obtain a microscopic understanding of adhesion on wet and rough surfaces. The key results which to be obtained from Mintis’ research include the following:

  • Development of MD and MC algorithms for providing quantitative predictions for chain self -organization and morphology in aqueous solution of synthetic poly-electrolytes and polypeptides, also in gels.
  • Molecular investigation of physicochemical parameters, such as salt concentration, pH, temperature, chain length etc., on chain self-organization, microstructure and morphology transitions in model hydrogens.
  • Multi-scale modelling of history-dependent droplet configurations on surfaces, and dependence o surface topography or roughness.

Education

  • 2016: MEng (Hons) Chemical Engineering, University of Bath, UK
  • 2014: BEng (Hons) Chemical Engineering, University of Bath, UK

Research experience

  • 2015 – 2016 : Unilever plc, Research Assistant, Development and production of a new instant coffee blend (as part of his Master thesis)

 

Awards-honors-fellowships

  • Nominated for the international “Be Inspired Awards of 2015”, under the water network analysis and water treatment plants category
  • BP Award of academic excellence during first academic year at the University of Bath (2012)
    Professional activities
  • ICheME, Institute of Chemical Engineers, regular fellow

Mintis Dimitris_CV_Chem Eng