Έρευνα / Ερευνητικές κατευθύνσεις / Θεωρητική και Υπολογιστική Χημεία και Επιστήμη Υλικών

Μοριακές προσομοιώσεις νανοδομημένων συστημάτων με βάση πολυμερικά και βιολογικά υλικά

Δρ. Αναστασία Ρισάνου

Υπεύθυνη Ερευνητικής Ομάδας

Δρ. Αναστασία ΡισάνουΕντεταλμένη Ερευνήτρια

Dr. Anastasia Rissanou is leading the activity of “Molecular Simulations of Nanostructured Systems” within the Theoretical and Computational Chemistry and Materials Science Research Direction, at the Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation. Our research activities are focused on the investigation of structural, dynamical and thermodynamical properties of complex nanostructured systems based on various simulation techniques (Molecular dynamics, Monte Carlo, Stochastic dynamics Brownian dynamics). Systems of interest are soft materials such as polymers and colloids, biological molecules such as peptides, proteins, RNA/DNA, as well as hybrid nanostructured materials of the aforementioned matrices with organic or inorganic nanofillers. Of particular interest are the Hierarchical Multi-Scale Modeling approaches, developed directly from chemistry, which allow the quantitate prediction of properties of such complex systems, through a rigorous bridging between the broad range of length and time scales that govern them, providing accurate structure-properties relationships.

National

Prof. Spiros Anastasiadis
Dept. of Chemistry of the Univ. of Crete and the former Director of the Institute of Electronic Structure & Laser (IESL) of the Foundation for Research & Technology – Hellas (FORTH).

Prof. Kostas Karatasos
Department of Chemical Engineering of the School of Engineering of the Aristotle University of Thessaloniki.

Prof. Anna Mitraki
Materials Science and Technology Department at the University of Crete.

Dr. Kyriaki Chrissopoulou
Principal Researcher (Researcher B) in the Institute of Electronic Structure and Laser, Foundation for Research and Technology – Hellas.

Prof. Maria Vamvakaki
Department of Materials Science and Technology, University of Crete, Greece.

Prof. Michael Kokkinidis
Department of Biology, University of Crete & Group Leader Institute of Molecular Biology and Biotechnology of the Foundation for Research and Technology Hellas (IMBB-FORTH).

International

Prof. Vagelis Harmandaris
ERA Chair Prof. at The Cyprus Institute Nicosia Cyprus & Professor at the Department of Mathematics and Applied Mathematics, University of Crete.

Prof. Manolis Doxastakis
Prof. at the Department of Chemical and Biomolecular Engineering University of Tennessee, Knoxville, USA.

Prof. Marcus Müller
Institut für Theoretische Physik Georg-August-Universität Göttingen, Germany.

Dr. Patrycia Polinsca
Goodyear S.A., L-7750 Colmar-Berg, Luxembourg.

Internal

Dr. Aristeidis Papagiannopoulos
Associate Researcher, Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation.

A. Peer Reviewed Referred Journals

2023

“Self-assembly of Phenylalanine-Leucine Leucine-Phenylalanine and Cyclo(-Leucine-Phenylalanine) Dipeptides through Simulations and Experiments”
P. Divanach, E. Fanouraki, A. Mitraki,* V. Harmandaris, A. N. Rissanou* accepted in The Journal of Physical Chemistry B 2023.
https://doi.org/10.1021/acs.jpcb.2c08576

2022

“Polybutadiene Copolymers via Atomistic and Systematic Coarse-Grained Simulations”
A. Rissanou,* A. Chazirakis, P. Polinska, C. Burkhart, M. Doxastakis, V. Harmandaris,* Macromolecules 2022, 55 (1), 224-240.
https://doi.org/10.1021/acs.macromol.1c01939
“Effects of the structure of lipid-based agents in their complexation with a single stranded mRNA fragment: a computational study”
A. Rissanou,* K. Karatasos,* Soft Matter 2022, 18, 6229-6245.
https://doi.org/10.1039/D2SM00403H
“Dynamics of Polymer Chains in Poly(ethylene oxide)/Silica Nanocomposites via a Combined Computational and Experimental Approach”
A. J. Power, H. Papananou, A. N. Rissanou, M. Labardi, K. Chrissopoulou, V. Harmandaris, S. H. Anastasiadis, J. Phys. Chem B 2022, 126, 39, 7745–7760.
https://doi.org/10.1021/acs.jpcb.2c04325
“The Role of Oxidation Pattern and Water Content in the Spatial Arrangement and Dynamics of Oxidized Graphene-Based Aqueous Dispersions”
A. Rissanou,* I. Karnis, F. Krasanakis, K. Chrissopoulou, K. Karatasos* Int. J. Mol. Sci. 2022, 23, 13459-13483.
https://doi.org/10.3390/ijms232113459