LSTM GROUP:  Flora Tsourtou

PhD student

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)