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| [22] | Prediction of four concentration moments of an airborne material released from a point source in an urban environment (George C. Efthimiou), In Journal of Wind Engineering and Industrial Aerodynamics, volume 184, 2019. |
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| [11] | Parallel Schur Complement Techniques Based on Multiprojection Methods (Moutafis, B., Filelis-Papadopoulos, C. and Gravvanis, G.), In SIAM Journal on Scientific Computing, volume 40, 2018. |
| [10] | Molecular Dynamics Study of an Atactic Poly(methyl methacrylate)-Carbon Nanotube Nanocomposite (Skountzos, Emmanuel N., Mermigkis, Panagiotis G. and Mavrantzas, Vlasis G.), In The Journal of Physical Chemistry B, American Chemical Society, 2018. |
| [9] | Evaluation of an inverse modelling methodology for the prediction of a stationary point pollutant source in complex urban environments (George C. Efthimiou, Ivan V. Kovalets, Christos D. Argyropoulos, Alexandros Venetsanos, Spyros Andronopoulos and Konstantinos E. Kakosimos), In Building and Environment, volume 143, 2018. |
| [8] | 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. |
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| [6] | 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. |
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| [4] | Pressure- and Temperature-Induced Monoclinic-to-Orthorhombic Phase Transition in Silicalite-1 (Lempesis, Nikolaos, Smatsi, Natalia, Mavrantzas, Vlasis G. and Pratsinis, Sotiris E.), In The Journal of Physical Chemistry C, 2018. |
| [3] | Mobility and settling rate of agglomerates of polydisperse nanoparticles (Anastasia Spyrogianni, Katerina S. Karadima, Eirini Goudeli, Vlasis G. Mavrantzas and Sotiris E. Pratsinis), In The Journal of Chemical Physics, volume 148, 2018. |
| [2] | Impact of Screw and Edge Dislocations on the Thermal Conductivity of Individual Nanowires and Bulk GaN: a Molecular Dynamics study (Termentzidis, Konstantinos, Isaiev, Mykola, Salnikova, Anastasiia, Belabbas, Imad, Lacroix, David and Kioseoglou, Joseph), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, 2018. |
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| [1] | 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. |
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| [27] | Convective Excitation of Inertial Modes in Binary Neutron Star Mergers (De Pietri, Roberto, Feo, Alessandra, Font, José A., Löffler, Frank, Maione, Francesco, Pasquali, Michele and Stergioulas, Nikolaos), In Phys. Rev. Lett., American Physical Society, volume 120, 2018. |
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| [24] | Semi-analytic derivation of the threshold mass for prompt collapse in binary neutron-star mergers (Bauswein, Andreas and Stergioulas, Nikolaos), In Monthly Notices of the Royal Astronomical Society, volume 471, 2017. |
| [23] | A microscopic view of graphene-oxide/poly(acrylic acid) physical hydrogels: effects of polymer charge and graphene oxide loading (Karatasos, Konstantinos and Kritikos, Georgios), In Soft Matter, The Royal Society of Chemistry, 2017. |
| [22] | Neutron-star Radius Constraints from GW170817 and Future Detections (Andreas Bauswein, Oliver Just, Hans-Thomas Janka and Nikolaos Stergioulas), In The Astrophysical Journal Letters, volume 850, 2017. |
| [21] | 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. |
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| [19] | 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. |
| [18] | Two-dimensional Mo(SCN) 2 : a novel MoS 2 -variant (Dimitrios Kaltsas and Leonidas Tsetseris), In Journal of Physics: Condensed Matter, volume 29, 2017. |
| [17] | Intrinsic point defects in buckled and puckered arsenene: a first-principles study (Iordanidou, K., Kioseoglou, J., Afanas'ev, V. V., Stesmans, A. and Houssa, M.), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 19, 2017. |
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| [3] | Predictions of water/oil interfacial tension at elevated temperatures and pressures: A molecular dynamics simulation study with biomolecular force fields (Konstantinos D. Papavasileiou, Othonas A. Moultos and Ioannis G. Economou), In Fluid Phase Equilibria, 2017. |
| [2] | Modeling of Bulk Kerogen Porosity: Methods for Control and Characterization (Vasileiadis, Manolis, Peristeras, Loukas D., Papavasileiou, Konstantinos D. and Economou, Ioannis G.), In Energy & Fuels, volume 31, 2017. |
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| [30] | Computational investigation of fullerene-DNA interactions: Implications of fullerene’s size and functionalization on DNA structure and binding energetics (Konstantinos D. Papavasileiou, Aggelos Avramopoulos, Georgios Leonis and Manthos G. Papadopoulos), In Journal of Molecular Graphics and Modelling, volume 74, 2017. |
| [29] | Unscrambling micro-solvation of -COOH and -NH groups in neat dimethyl sulfoxide: insights from 1H-NMR spectroscopy and computational studies (Takis, Panteleimon G., Papavasileiou, Konstantinos D., Peristeras, Loukas D., Boulougouris, Georgios C., Melissas, Vasilios S. and Troganis, Anastassios N.), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 19, 2017. |
| [28] | 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. |
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| [23] | The Role of Heat Extinction Depth Concept to Fire Behavior: An Application to WRF-SFIRE Model (Kartsios, S. and Karacostas, Theodore S. and Pytharoulis, I. and Dimitrakopoulos, A. P.), Chapter in (Karacostas, Theodore, Bais, Alkiviadis, Nastos, Panagiotis T., eds.), Springer International Publishing, 2017. |
| [22] | Magnetic nanoparticles coated with polyarabic acid demonstrate enhanced drug delivery and imaging properties for cancer theranostic applications (Patitsa, Maria and Karathanou, Konstantina and Kanaki, Zoi and Tzioga, Lamprini and Pippa, Natassa and Demetzos, Constantinos and Verganelakis, Dimitris A. and Cournia, Zoe and Klinakis, Apostolos), In Scientific Reports, volume 7, 2017. |
| [21] | Detailed Molecular Dynamics Simulation of the Structure and Self-Diffusion of Linear and Cyclic n-Alkanes in Melt and Blends (Alatas, Panagiotis V., Tsalikis, Dimitrios G. and Mavrantzas, Vlasis G.), In Macromolecular Theory and Simulations, volume 26, 2017. |
| [20] | Mechanism and crucial parameters on GaN nanocluster formation in a silica matrix (J. Kioseoglou, M. Katsikini, K. Termentzidis, I. Karakostas and E. C. Paloura), In Journal of Applied Physics, volume 121, 2017. |
| [19] | Complexation of Polyelectrolyte Micelles with Oppositely Charged Linear Chains (Kalogirou, Andreas, Gergidis, Leonidas N., Miliou, Kalliopi and Vlahos, Costas), In The Journal of Physical Chemistry B, volume 121, 2017. |
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| [12] | Monte carlo determination of correction factors for dosimetric measurements in gamma knife perfexion small fields (Zoros, E, Pappas, EP, Moutsatsos, A, Pantelis, E, Paraskevopoulou, C, Georgiou, E and Karaiskos, P), In Physica Medica, Elsevier, volume 32, 2016. |
| [11] | Molecular dynamics simulations and structure-based network analysis reveal structural and functional aspects of G-protein coupled receptor dimer interactions (Baltoumas, Fotis A. and Theodoropoulou, Margarita C. and Hamodrakas, Stavros J.), In Journal of Computer-Aided Molecular Design, volume 30, 2016. |
| [10] | A $\beta$-solenoid model of the Pmel17 repeat domain: insights to the formation of functional amyloid fibrils (Louros, Nikolaos N. and Baltoumas, Fotis A. and Hamodrakas, Stavros J. and Iconomidou, Vassiliki A.), In Journal of Computer-Aided Molecular Design, volume 30, 2016. |
| [9] | 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. |
| [8] | 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 (Papadopoulos, George D., Tsalikis, Dimitrios G. and Mavrantzas, Vlasis G.), In Polymers, volume 8, 2016. |
| [7] | Analysis of Slow Modes in Ring Polymers: Threading of Rings Controls Long-Time Relaxation (Tsalikis, Dimitrios G., Mavrantzas, Vlasis G. and Vlassopoulos, Dimitris), In ACS Macro Letters, volume 5, 2016. |
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| [3] | Two-dimensional cyanates: stabilization through hydrogenation (Tsetseris, Leonidas), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 18, 2016. |
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