Δημοσιεύσεις

Η σελίδα αυτή παρουσιάζει τα επιστημονικά αποτελέσματα και δημοσιεύσεις των ερευνητών που χρησιμοποιούν τις υπερ-υπολογιστικές υπηρεσίες της ΕΔΕΤ.

Εάν έχετε και εσείς κάποια σχετική δημοσίευση των αποτελεσμάτων της έρευνας σας με την χρήση του συστήματος ARIS  παρακαλούμε να μας ενημερώσετε μέσω e-mail στο hpc-info@lists.grnet.gr ώστε να την συμπεριλάβουμε στην σελίδα αυτή.

Δημοσιεύσεις από εγκεκριμένα έργα του: 1st pilot Call

ACRA «Atmospheric chemistry and radiative forcing assessment of recent ly

llution episodes over Athens, Greece»

Project leader: Athanasopoulou Eleni, National Observatory of Athens

Research field:  Earth System Sciences

Publications:

  • Athanasopoulou, E., Speyer, O., Apostolopoulou, S., Papageorgiou, S., Amiridis, V., & Gerasopoulos, E. (2017). Near Real-Time Aerosol Predictions During the First Citizen Observatory Campaign in Greece. In T. Karacostas, A. Bais, & T. P. Nastos (Eds.), Perspectives on Atmospheric Sciences (pp. 823–829). Cham: Springer International Publishing. http://doi.org/10.1007/978-3-319-35095-0_118

Correct «ClOud REsolving ClimaTe»

Project leader: Pytharoulis Ioannis, Aristotle University of Thessaloniki

Publications:

  • Tegoulias, I., Kartsios, S., Pytharoulis, I., Kotsopoulos, S., & Karacostas, T. S. (2017). The Influence of WRF Parameterisation Schemes on High Resolution Simulations Over Greece. InPerspectives on Atmospheric Sciences (pp. 3-8). Springer International Publishing. http://doi.org/10.1007/978-3-319-35095-0_1
  • Pytharoulis, I., Matsangouras, I. T., Tegoulias, I., Kotsopoulos, S., Karacostas, T. S., & Nastos, P. T. (2017). Numerical Study of the Medicane of November 2014. In Perspectives on Atmospheric Sciences (pp. 115-121). Springer International Publishing. http://doi.org/10.1007/978-3-319-35095-0_17
  • Kartsios, S., Karacostas, T. S., Pytharoulis, I., & Dimitrakopoulos, A. P. (2017). The Role of Heat Extinction Depth Concept to Fire Behavior: An Application to WRF-SFIRE Model. In Perspectives on Atmospheric Sciences (pp. 137-142). Springer International Publishing. http://doi.org/10.1007/978-3-319-35095-0_20

Co-Brain «Complexity in the Brain»

Project leader: Provata Astero, «Demokritos» National Center for Scientific Research

Research field: Biochemistry, Bioinformatics and Life sciences

Publications:

  • Breki, C. M., Dimitrakopoulou-Strauss, A., Hassel, J., Theoharis, T., Sachpekidis, C., Pan, L., & Provata, A. (2015). Fractal and multifractal analysis of PET-CT images of metastatic melanoma before and after treatment with ipilimumab. arXiv preprint arXiv:1601.00632. http://doi.org/10.1186/s13550-016-0216-5

DIANA-Lab «Analysis of Next Generation Omics data»

Project leader: Hatzigeorgiou Artemis , University of Thessaly

Research field: Biochemistry, Bioinformatics and Life sciences

Publications:

  • Paraskevopoulou, M.D., Vlachos, I.S., Karagkouni, D., Georgakilas, G., Kanellos, I., Vergoulis, T., Zagganas, K., Tsanakas, P., Floros, E., Dalamagas, T. and Hatzigeorgiou, A.G., 2016. DIANA-LncBase v2: indexing microRNA targets on non-coding transcripts. Nucleic acids research44(D1), pp.D231-D238.  http://dx.doi.org/10.1093/nar/gkv1270
  • Georgakilas, G., Vlachos, I.S., Zagganas, K., Vergoulis, T., Paraskevopoulou, M.D., Kanellos, I., Tsanakas, P., Dellis, D., Fevgas, A., Dalamagas, T. and Hatzigeorgiou, A.G., 2016. DIANA-miRGen v3. 0: accurate characterization of microRNA promoters and their regulators. Nucleic acids research44(D1), pp.D190-D195. http://dx.doi.org/10.1093/nar/gkv1254

 ESECFA «Energy Storage for ECo-Friendly Applications«

Project leader: Papadopoulos George K. , National Technical University of Athens

Publications:

  • Fröhlich, D., Pantatosaki, E., Kolokathis, P. D., Markey, K., Reinsch, H., Baumgartner, M., … & Henninger, S. K. (2016). Water adsorption behaviour of CAU-10-H: a thorough investigation of its structure–property relationships. Journal of Materials Chemistry A, 4(30), 11859-11869. http://dx.doi.org/10.1039/C6TA01757F

MAG-NANO-MEM «Modeling and simulations of functionalized magnetic nanoparticles as drug delivery systems»

Project leader: Zoe Cournia, Biomedical Research Foundation, Academy of Athens

Research field: Biochemistry, Bioinformatics and Life sciences

Publications:

  • Patitsa, M., Karathanou, K., Kanaki, Z., Tzioga, L., Pippa, N., Demetzos, C., Verganelakis, D.A., Cournia, Z. and Klinakis, A., 2017. Magnetic nanoparticles coated with polyarabic acid demonstrate enhanced drug delivery and imaging properties for cancer theranostic applications. Scientific reports, 7(1), p.775.  10.1038/s41598-017-00836-y

MCFSD «Monte Carlo Small Field Dosimetry»

Project leader: Zoros Emmanouil, University of Athens

Research field: Medical Physics

Publications:

  • Zoros, E., Pappas, E. P., Moutsatsos, A., Pantelis, E., Paraskevopoulou, C., Georgiou, E., & Karaiskos, P. (2016). Monte carlo determination of correction factors for dosimetric measurements in gamma knife perfexion small fields. Physica Medica, 32, 237. http://dx.doi.org/10.1016/j.ejmp.2016.07.494

M.D.S.B.M.S. «Molecular Dynamics Simulations of Biological Membrane Systems»

Project leader: Stavros Hamodrakas, National & Kapodistrian University of Athens

Research field: Biochemistry, Bioinformatics and Life sciences

Publications:

  • Baltoumas, F.A., Theodoropoulou, M.C. & Hamodrakas, S.J. (2016) “Molecular Dynamics Simulations and Structure-based Network Analysis Reveal Structural and Functional Aspects of G-protein coupled Receptor Dimer Interactions”. Journal of Computer-Aided Molecular Design 2016 Jun 27. [Epub ahead of print] PubMed: 27349423. doi: https://dx.doi.org/10.1007/s10822-016-9919-y
  • Louros, N.N., Baltoumas, F.A., Hamodrakas, S.J. & Iconomidou, V.A. (2016) “A β-solenoid model for the Pmel17 Repeat Domain: Insights to the formation of functional amyloid fibrils”. Journal of Computer-Aided Molecular Design, Feb; 30 (2): 153-64. PubMed: 26754844. doi:https://dx.doi.org/10.1007/s10822-015-9892-x

 Multiclc «Multiscale Simulations of Crystalline and Liquid-Crystalline Systems»

Project leader: Theodorou Dorou, National Technical University of Athens

Research field: Chemical Sciences and Materials

Publications:

  • Ziogos, G., Megariotis, G., & Theodorou, D. N. (2016, August). Atomistic and Coarse-grained Simulations of Hexabenzocoronene Crystals. InJournal of Physics: Conference Series (Vol. 738, No. 1, p. 012019). IOP Publishing. http://doi.org/10.1088/1742-6596/738/1/012019
  • Αdamantia S. Liossi, Dimitrios Ntountaniotis, Tahsin F. Kellici, Maria V. Chatziathanasiadou, Grigorios Megariotis, Maria Mania, Johanna Becker-Baldus, Manfred Kriechbaum, Andraž Krajnc, Eirini Christodoulou, Clemens Glaubitz, Michael Rappolt, Heinz Amenitsch, Gregor Mali, Doros N. Theodorou, Georgia Valsami, Marinos Pitsikalis, Hermis Iatrou, Andreas G. Tzakos, Thomas Mavromoustakos, Exploring the interactions of irbesartan and irbesartan–2-hydroxypropyl-β-cyclodextrin complex with model membranes, Biochimica et Biophysica Acta (BBA) – Biomembranes, Volume 1859, Issue 6, June 2017, Pages 1089-1098, ISSN 0005-2736, http://doi.org/10.1016/j.bbamem.2017.03.003.

NanoComp «Large scale atomistic simulations of graphene-based pyrene functionalized polymer nanocomposites»

Project leader: Mavrantzas Vlasis, University of Patras

Research field: Engineering

Publications:

  • Panagiotis V. Alatas, Dimitrios G. Tsalikis, Vlasis G. Mavrantzas (2016) Detailed Molecular Dynamics Simulation of the Structure and Self-Diffusion of Linear and Cyclic n-Alkanes in Melt and Blends. Macromolecular Theory and Simulations,1521-3919 http://dx.doi.org/10.1002/mats.201600049
  • Papadopoulos, G.D.; Tsalikis, D.G.; Mavrantzas, V.G. Microscopic Dynamics and Topology of Polymer Rings Immersed in a Host Matrix of Longer Linear Polymers: Results from a Detailed Molecular Dynamics Simulation Study and Comparison with Experimental Data. Polymers 2016, 8, 283http://dx.doi.org/10.3390/polym8080283
  • D. G. Tsalikis, V. G. Mavrantzas and D. Vlassopoulos,  2016. Analysis of Slow Modes in Ring Polymers: Threading of Rings Controls Long-Time Relaxation. ACS Macro Letters. dx.doi.org/10.1021/acsmacrolett.6b00259

NICE «Nitride semiconductors» 

Project leader: Kioseoglou Joseph, Aristotle University of Thessaloniki

Research field: Solid State Physics, Materials Science

Publications:

Paliroia «Participation of Long Internal waves in Regional Ocean Interannual vAriability»

Project leader: Zervakis Vassilis, University of the Aegean

Research field: Earth System Sciences

Publications:

PolyelecSim «Simulation of polyelectrolytes self assembly»

Project leader: Vlahos Costas, University of Ioannina

Research field: Chemical Sciences and Materials

Publications:

  • Andreas Kalogirou, Leonidas N. Gergidis, Kalliopi Miliou, and Costas Vlahos (2017).  Complexation of Polyelectrolyte Micelles with Opposite Charged Linear Chains. In The Journal of Physical chemistry (3 February 2017). http://pubs.acs.org/doi/abs/10.1021/acs.jpcb.6b12709

 

REGINA «Regional climate simulations over Europe»

Project leader: Katragkou Eleni, Aristotle University of Thessaloniki

Research field: Earth System Sciences

Publications:

  • Katragkou, E., Gkotovou, I., Kartsios, S., Pavlidis, V., Tsigaridis, K., Trail, M., … & Karacostas, T. S. (2017). AUTH Regional Climate Model Contributions to EURO-CORDEX. In Perspectives on Atmospheric Sciences (pp. 741-746). Springer International Publishing. http://dx.doi.org/10.1007/978-3-319-35095-0_106

Q2D «First-principles quantum-mechanical studies on two-dimensional (2D) and quasi-2D materials»

Project leader: Tsetseris Leonidas, National Technical University of Athens

Research field: Chemical Sciences and Materials

Publications:

 

Δημοσιεύσεις από εγκεκριμένα έργα του: 2nd Production Call

ATON «ATOmic scale modelling in Nitride semiconductors»

Project leader:  Joseph Kioseoglou, Aristotle University of Thessaloniki

Research field: Chemical Sciences and Materials

Publications:

  • K. Iordanidou, J. Kioseoglou, V. Afanasiev, A. Stesmans, M. Houssa . Intrinsic point defects in buckled and puckered arsenene: a first-principles study Phys. Chem. Chem. Phys., 2017, Accepted Manuscript doi: 10.1039/C7CP00040E
  • Th. Pavloudis, V. Brien, J. Kioseoglou, Ab initio investigation of the AlN:Er system, Computational Materials Science, Volume 138, October 2017, Pages 128-134, ISSN 0927-0256,  doi: 10.1016/j.commatsci.2017.06.028

AQ4ATH «AirQuality for Athens –towards Integrated Services of Chemical Weather Forecast»

Project leader: Eleni Athanasopoulou, National Observatory of Athens

Research field: Earth System Sciences

Publicationis:

  • Athanasopoulou, E., Speyer, O., Brunner, D., Vogel, H., Vogel, B., Mihalopoulos, N., and Gerasopoulos, E.: Changes in the domestic heating fuel in Greece: effects on atmospheric chemistry and radiation, Atmos. Chem. Phys. Discuss., https://doi.org/10.5194/acp-2017-139, accepted to ACP, 2017.
  • Athanasopoulou E., Speyer O., Apostolopoulou S., Papageorgiou S., Amiridis V. and Gerasopoulos E.: Near Real-Time Aerosol Predictions During the First Citizen Observatory Campaign in Greece, Springer Atmospheric Sciences, Theodore Karacostas et al. (Eds): Perspectives on Atmospheric Sciences, 978-3-319-35094-3, 395543_1_En, (118), DOI: 10.1007/978-3-319-35095-0_118, 2016

CAMDAS Classical and ab-initio molecular dynamics simulations of ferro-aluminosilicate slags

Project leader: Konstantinos Karalis, National Technical University of Athens

Research field: Chemical Sciences and Materials

Publications:

  • K. Karalis, N. Karkalos, G. S. E. Antipas, A. Xenidis: Pragmatic analysis of the electric submerged arc furnace continuum , R. Soc. open sci. 2017 4 170313; DOI: 10.1098/rsos.170313. Published 6 September 2017, https://doi.org/10.1098/rsos.170313

EFEST «Efficient estimation of matrix functions with applications to statistics, networks and machine learning»

Project leader: Marilena Mitrouli, University of Athens

Research field: Mathematics and Computer Sciences

Publications:

Polyelecrolyte_Star_Polymers «Polyelectrolyte star polymer brushes and micelles»

Project leader: Kostas Vlachos, University of Ioannina

Research field: Chemical Sciences and Materials

Publications:

  • Miliou, K., Gergidis, L. N. and Vlahos, C. (2017), Molecular dynamics simulation of brushes formed by star polyelectrolytes under theta solvent conditions. J. Polym. Sci. Part B: Polym. Phys.. doi:10.1002/polb.24363

Q2D-2 «Density-functional theory studies on two-dimensional (2D), quasi-2D, and layered materials»

Project leader: Tsetseris Leonidas, National Technical University of Athens

Research field: Chemical Sciences and Materials

Publications:

 RINGPOLY «Large scale atomistic simulations of ring polymer melts: understanding the origin of slow relaxation modes»

Project leader: Mavrantzas Vlasis, University of Patras

Research field: Chemical Sciences and Materials

Publications:

  • Tsalikis, D. G., Koukoulas, T., Mavrantzas, V. G., Pasquino, R., Vlassopoulos, D., Pyckhout-Hintzen, W., … & Richter, D. (2017). Microscopic Structure, Conformation, and Dynamics of Ring and Linear Poly (ethylene oxide) Melts from Detailed Atomistic Molecular Dynamics Simulations: Dependence on Chain Length and Direct Comparison with Experimental Data. Macromolecules, 50(6), 2565-2584. http://dx.doi.org/10.1021/acs.macromol.6b02495

ScaleSciComp Scale Scientific Computations

Project leader: George Gravvanis, Democritus University of Thrace

Research field: Mathematics and Computer Sciences

Publications:

  • G.A. Gravvanis, B.E. Moutafis, C.K. Filelis-Papadopoulos and H.G. Theodosiou. “Parallel Semi-aggregation techniques for solving Parabolic Partial Differential Equations”. In P. Iványi, B.H.V. Topping and G. Várady, (Editors), «Advances in Parallel, Distributed, Grid and Cloud Computing for Engineering», Saxe-Coburg Publications, Stirlingshire, UK, Chapter 8, pp 157-182, 2017. doi:10.4203/csets.40.8.
  • B.E. Moutafis, C.K. Filelis-Papadopoulos and G.A. Gravvanis. “Parallel MultiProjection Preconditioned Methods based on Semi-Aggregation Techniques”. Journal of Computational Science, doi.org/10.1016/j.jocs.2017.08.020
  • P.E. Kyziropoulos, C.K. Filelis-Papadopoulos, G.A. Gravvanis and C. Efthymiopoulos. “A Parallel Self Mesh-Adaptive N-body method based on Approximate Inverses”. Journal of Supercomputing, doi.org/10.1007/s11227-017-2078-7
  • P.E. Kyziropoulos, C.K. Filelis-Papadopoulos, G.A. Gravvanis and C. Efthymiopoulos. “Toward the design of a novel hybrid parallel N-body method in scope of modern cloud architectures”. Journal of Supercomputing doi.org/10.1007/s11227-017-2140-5
  • Filelis-Papadopoulos C.K., Gravvanis G.A. and Kyziropoulos P.E. (2017): A framework for simulating large scale cloud infrastructures, Future Generation Computer Systems (FGCS), doi.org/10.1016/j.future.2017.06.017
  • Filelis-Papadopoulos C.K., Giannoutakis K.M., Gravvanis G.A. and Tzovaras D. (2017), Large Scale Simulation of a Self-Organising Self-Management Cloud Computing Framework, Journal of Supercomputing, doi.org/10.1007/s11227-017-2143-2

THERMOCLAY Thermo-physical, configuration and dynamic properties of clay/kerogens systems

Project leader: Ioannis Economou , National Center for Scientific Research “Demokritos” (NCSR “Demokritos”)

Research field: Chemical Sciences and Materials

Publications:

  • Papavasileiou, K. D., Moultos, O. A., & Economou, I. G. (2017). Predictions of water/oil interfacial tension at elevated temperatures and pressures: A molecular dynamics simulation study with biomolecular force fields. Fluid Phase Equilibria. https://doi.org/10.1016/j.fluid.2017.05.004
  • Vasileiadis, M., Peristeras, L. D., Papavasileiou, K. D., & Economou, I. G. (2017). Modeling of bulk kerogen porosity: Methods for control and characterization. Energy & Fuelshttp://dx.doi.org/10.1021/acs.energyfuels.7b00626

Δημοσιεύσεις από εγκεκριμένα έργα του: Preparatory Call

AMDAS «Ab-initio molecular dynamics of ferro-aluminosilicate slag»

Project leader: Karalis Konstantinos, National Technical University of Athens

Research field: Chemical Sciences and Materials

Publications:

  • Karalis, K.; Dellis, D.; Antipas, G.S.E.;  Xenidis, A.; «Bona-fide method for the determination of short range order and transport properties in a ferro-aluminosilicate slag»,  Nature Scientific Reports Published: 2016, http://dx.doi.org/10.1038/srep30216

EFEST «Efficient estimation of matrix functions with applications to statistics, networks and machine learning»

Project leader: Marilena Mitrouli, University of Athens

Research field: Mathematics and Computer Sciences

Publications:

CDOLPOT «Code Decay of Long Periods of Time»

Project leader: Spinellis Diomidis, Athens University of Economics and Business

Research field: Mathematics and Computer Sciences

Publications:

ScaleMaPFlow «Scalability of the MaPflow code in moving rotor simulations»

Project leader: Prospathopoulos John, National Techniacl University of Athens

Research field: Engineering

Publications:

  • Manolesos, M., Sørensen, N. N., Troldborg, N., Florentie, L., Papadakis, G., & Voutsinas, S. (2016, September). Computing the flow past Vortex Generators: Comparison between RANS Simulations and Experiments. In Journal of Physics: Conference Series (Vol. 753, No. 2, p. 022014). IOP Publishing. http://doi.org/10.1088/1742-6596/753/2/022014

VisCoPatS «Viscous Coating of Patterned Substrates»

Project leader: Tsamopoulos John, University of Patras

Research field: Engineering

Publications:

  • Lampropoulos, N. K., Dimakopoulos, Y., & Tsamopoulos, J. (2016). Transient flow of gravity-driven viscous films over substrates with rectangular topographical features. Microfluidics and Nanofluidics, 20(3), 1-24. http://doi.org/10.1007/s10404-016-1716-3