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| [40] | Binding Dynamics of siRNA with selected Lipopeptides: A Computer-Aided Study of the Effect of Lipopeptides’ Functional Groups and Stereoisomerism (Pantatosaki E., Papadopoulos G. K.), In J. Chem. Theory Comput., volume 16, 2020. |
| [39] | Revisiting the assumptions and implementation details of the BAY model for vortex generator flows (M. Manolesos, G. Papadakis. G.Voutsinas), In Renewable Energy, volume 146, 2020. |
| [38] | Atomistic Simulations of Long-Chain Polyethylene Melts Flowing Past Gold Surfaces: Structure and Wall-Slip (Sgouros A. P., Theodorou D.N.), In Mol. Phys., volume 17, 2020. |
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| [37] | Assessment of transition modeling for high Reynolds flows (K. Diakakis, G. Papadakis, S.G. Voutsinas), In Aerosp. Sci. Technol., volume 85, 2019. |
| [36] | Multiscale Simulations of Graphite-Capped Polyethylene Melts: Brownian Dynamics/Kinetic Monte Carlo Compared to Atomistic Calculations and Experiment (Sgouros A. P., Vogiatzis G. G., Megariotis G., Tzoumanekas C., Theodorou D.N.), In Macromolecules, volume 52, 2019. |
| [35] | Porous Coordination Polymers and Aluminophosphates transform water adsorptive heat to drive solar cooling and heating (E. Pantatosaki, P. D. Kolokathis, D. Fröhlich, M. A. van der Veen, D. E. De Vos, T. Splith, G. Füldner, G. K. Papadopoulos), In In Proceedings of the 12th Panhellenic Scientific Conference on Chemical Engineering, 2019. |
| [34] | A strongly coupled Eulerian Lagrangian method verified in 2D external compressible flows (George Papadakis and Spyros G. Voutsinas), In Computers & Fluids, volume 195, 2019. |
| [33] | Effects of viscosity and nonlinearity on 3D flapping-foil thruster for marine applications (G. Papadakis and E. S. Filippas and D. Ntouras and K. A. Belibassakis), In OCEANS 2019 - Marseille, volume , 2019. |
| [32] | Ab initio study on structural and electronic properties of ReOFeAs (Re: La, Sm, Nd, Ce, Gd) under hydrostatic pressure (Eleftheria Gkogkosi), In Journal of Physics Communications, IOP Publishing, volume 3, 2019. |
| [31] | Introducing a Nonvolatile N-Type Dopant Drastically Improves Electron Transport in Polymer and Small-Molecule Organic Transistors (Panidi, Julianna, Kainth, Jaspreet, Paterson, Alexandra F., Wang, Simeng, Tsetseris, Leonidas, Emwas, Abdul-Hamid, McLachlan, Martyn A., Heeney, Martin and Anthopoulos, Thomas D.), In Advanced Functional Materials, volume 29, 2019. |
| [30] | Addition of the Lewis Acid Zn(C6F5)2 Enables Organic Transistors with a Maximum Hole Mobility in Excess of 20 cm2 V−1 s−1 (Paterson, Alexandra F., Tsetseris, Leonidas, Li, Ruipeng, Basu, Aniruddha, Faber, Hendrik, Emwas, Abdul-Hamid, Panidi, Julianna, Fei, Zhuping, Niazi, Muhammad R., Anjum, Dalaver H., Heeney, Martin and Anthopoulos, Thomas D.), In Advanced Materials, 2019. |
| [29] | Highly sensitive and room temperature detection of ultra-low concentrations of O3 using self-powered sensing elements of Cu2O nanocubes (Petromichelaki, E., Gagaoudakis, E., Moschovis, K., Tsetseris, L., Anthopoulos, T. D., Kiriakidis, G. and Binas, V.), In Nanoscale Adv., RSC, volume 1, 2019. |
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| [28] | Study of the influence of oscillating trailing edge flaps on the AVATAR rotor using CFD simulations (J.M. Prospathopoulos, E. Jost, G. Papadakis, T. Lutz, D.I. Manolas), In https://doi.org/10.1088/1742-6596/1037/6/062024, volume 1037, 2018. |
| [27] | Slip Spring-Based Mesoscopic Simulations of Polymer Networks: Methodology and the Corresponding Computational Code (Megariotis, Grigorios, Vogiatzis, Georgios, Sgouros, Aris and Theodorou, Doros), In Polymers, volume 10, 2018. |
| [26] | Copper (I) Selenocyanate (CuSeCN) as a Novel Hole‐Transport Layer for Transistors, Organic Solar Cells, and Light‐Emitting Diodes (Wijeyasinghe Nilushi, Tsetseris Leonidas, Regoutz Anna, Sit Wai‐Yu, Fei Zhuping, Du Tian, Wang Xuhua, McLachlan Martyn A., Vourlias George, Patsalas Panos A., Payne David J., Heeney Martin and Anthopoulos Thomas D.), In Advanced Functional Materials, volume 28, 2018. |
| [25] | p‐Doping of Copper(I) Thiocyanate (CuSCN) Hole‐Transport Layers for High‐Performance Transistors and Organic Solar Cells (Wijeyasinghe Nilushi, Eisner Flurin, Tsetseris Leonidas, Lin Yen‐Hung, Seitkhan Akmaral, Li Jinhua, Yan Feng, Solomeshch Olga, Tessler Nir, Patsalas Panos and Anthopoulos Thomas D.), In Advanced Functional Materials, volume 0, 2018. |
| [24] | Defect Perovskites under Pressure: Structural Evolution of Cs2SnX6 (X = Cl, Br, I) (Bounos, Giannis, Karnachoriti, Maria, Kontos, Athanassios G., Stoumpos, Constantinos C., Tsetseris, Leonidas, Kaltzoglou, Andreas, Guo, Xiaofeng, Lü, Xujie, Raptis, Yannis S., Kanatzidis, Mercouri G. and Falaras, Polycarpos), In The Journal of Physical Chemistry C, volume 122, 2018. |
| [23] | Remarkable Enhancement of the Hole Mobility in Several Organic Small‐Molecules, Polymers, and Small‐Molecule:Polymer Blend Transistors by Simple Admixing of the Lewis Acid p‐Dopant B(C6F5)3 (Panidi Julianna, Paterson Alexandra F., Khim Dongyoon, Fei Zhuping, Han Yang, Tsetseris Leonidas, Vourlias George, Patsalas Panos A., Heeney Martin and Anthopoulos Thomas D.), In Advanced Science, volume 5, 2018. |
| [22] | Computational Studies of Nanographene Systems: Extended Discotics, Covalently Linked “Supermolecules,” and Functionalized Supramolecular Assemblies (Ziogos, Orestis G., Konstantinopoulos, Stefanos, Tsetseris, Leonidas and Theodorou, Doros N.), In The Journal of Physical Chemistry C, volume 122, 2018. |
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| [21] | Two-dimensional thio- and seleno-cyanates of Mo and W (C Boukouvala, D Kaltsas and L Tsetseris), In Journal of Physics: Condensed Matter, volume 29, 2017. |
| [20] | Molecular Dynamics Phenomena of Water in the Metalorganic Framework MIL-100(Al), as Revealed by Pulsed Field Gradient NMR and Atomistic Simulation (Splith, Tobias, Pantatosaki, Evangelia, Kolokathis, Panagiotis D., Fröhlich, Dominik, Zhang, Kang, Füldner, Gerrit, Chmelik, Christian, Jiang, Jianwen, Henninger, Stefan K., Stallmach, Frank and Papadopoulos, George K.), In The Journal of Physical Chemistry C, volume 121, 2017. |
| [19] | Molecular Simulations of Free and Graphite Capped Polyethylene Films: Estimation of the Interfacial Free Energies (Sgouros, A. P., Vogiatzis, G. G., Kritikos, G., Boziki, A., Nikolakopoulou, A., Liveris, D. and Theodorou, D. N.), In Macromolecules, volume 50, 2017. |
| [18] | Slip-Spring Model for the Linear and Nonlinear Viscoelastic Properties of Molten Polyethylene Derived from Atomistic Simulations (Sgouros, A. P., Megariotis, G. and Theodorou, D. N.), In Macromolecules, volume 50, 2017. |
| [17] | Exploring the interactions of irbesartan and irbesartan–2-hydroxypropyl-β-cyclodextrin complex with model membranes (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 and Thomas Mavromoustakos), In Biochimica et Biophysica Acta (BBA) - Biomembranes, volume 1859, 2017. |
| [16] | Summary of the Blind Test Campaign to predict the High Reynolds number performance of DU00-W-210 airfoil (Ceyhan, Ozlem, Pires, Oscar, Munduate, Xabier, Sorensen, Niels N, Schaffarczyk, Alois Peter, Reichstein, Torben, Diakakis, Konstantinos, Papadakis, Giorgos, Daniele, Elia, Schwarz, Michael and others), In 35th Wind Energy Symposium, 2017. |
| [15] | Two-dimensional Mo(SCN) 2 : a novel MoS 2 -variant (Dimitrios Kaltsas and Leonidas Tsetseris), In Journal of Physics: Condensed Matter, volume 29, 2017. |
| [14] | Pragmatic analysis of the electric submerged arc furnace continuum (Karalis, K., Karkalos, N., Antipas, G. S. E. and Xenidis, A.), In Royal Society Open Science, The Royal Society, volume 4, 2017. |
| [13] | Two-dimensional metal-phosphorus monohydrides (Leonidas Tsetseris), In FlatChem, volume 2, 2017. |
| [12] | Magnetic two-dimensional C3N2 carbonitrides: semiconductors, metals and half-metals (Mpoutas, Dimitrios and Tsetseris, Leonidas), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 19, 2017. |
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| [11] | Water adsorption behaviour of CAU-10-H: a thorough investigation of its structure-property relationships (Frohlich, Dominik, Pantatosaki, Evangelia, Kolokathis, Panagiotis D., Markey, Karen, Reinsch, Helge, Baumgartner, Max, van der Veen, Monique A., De Vos, Dirk E., Stock, Norbert, Papadopoulos, George K., Henninger, Stefan K. and Janiak, Christoph), In J. Mater. Chem. A, The Royal Society of Chemistry, volume 4, 2016. |
| [10] | Atomistic and Coarse-grained Simulations of Hexabenzocoronene Crystals (G Ziogos, G Megariotis and D N Theodorou), In Journal of Physics: Conference Series, volume 738, 2016. |
| [9] | Novel Au- and Ge-based two-dimensional materials formed through topotactic transitions of AlB2-like structures (Tsetseris, Leonidas), In Nanoscale, The Royal Society of Chemistry, volume 8, 2016. |
| [8] | Functionalization of two-dimensional phthalo-carbonitride with metal atoms (Tsetseris, Leonidas), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 18, 2016. |
| [7] | Copper thiocyanate: polytypes, defects, impurities, and surfaces (Leonidas Tsetseris), In Journal of Physics: Condensed Matter, volume 28, 2016. |
| [6] | Two-dimensional cyanates: stabilization through hydrogenation (Tsetseris, Leonidas), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 18, 2016. |
| [5] | Phthalo-carbonitride: an ab initio prediction of a stable two-dimensional material (Leonidas Tsetseris), In 2D Materials, volume 3, 2016. |
| [4] | Two-dimensional copper thio- and seleno-cyanates (Tsetseris, Leonidas), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 18, 2016. |
| [3] | Functionalization of two-dimensional phthalo-carbonitride with metal atoms (Tsetseris, Leonidas), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 18, 2016. |
| [2] | Bona-fide method for the determination of short range order and transport properties in a ferro-aluminosilicate slag (Karalis, Konstantinos T. and Dellis, Dimitrios and Antipas, Georgios S. E. and Xenidis, Anthimos), In , The Author(s) SN -, volume 6, 2016. |
| [1] | Computing the flow past Vortex Generators: Comparison between RANS Simulations and Experiments (M Manolesos, N N Sørensen, N Troldborg, L Florentie, G Papadakis and S Voutsinas), In Journal of Physics: Conference Series, volume 753, 2016. |
