[57] | Local intermolecular structure, hydrogen bonding and related dynamics in the liquid cis/trans N-methylformamide mixture: A density functional theory based Born-Oppenheimer molecular dynamics study (Ioannis Skarmoutsos, Ricardo L. Mancera, Stefano Mossa and Jannis Samios), In Journal of Molecular Liquids, volume 365, 2022. |
[56] | A comprehensive study of the onset of boundary layer separation in the unbounded flow around a circular cylinder (Malamataris,N. A., Sarris,I. E., Pazis,D. P. and Liakos,A.), In Physics of Fluids, volume 34, 2022. |
[55] | The Saharan convective boundary layer structure over large scale surface heterogeneity: A large eddy simulation study (Georgios Papangelis, Maria Tombrou, John Kalogiros), In Atmospheric Research, volume 248, 2021. |
[54] | Inside and Out of the Pore: Comparing Interactions and Molecular Dynamics of Influenza A M2 Viroporin Complexes in Standard Lipid Bilayers (Kolokouris, Dimitrios, Kalenderoglou, Iris E. and Kolocouris, Antonios), In Journal of Chemical Information and Modeling, 2021. |
[53] | The effect of S427F mutation on RXRα activity depends on its dimeric partner (Ioannis Galdadas, Vangelis Bonis, Paraskevi Vgenopoulou, Michail Papadourakis, Panos Kakoulidis, Georgia Stergiou, Zoe Cournia, Apostolos Klinakis), In Chem. Sci., 2021. |
[52] | Hydration thermodynamics of cytosolic phospholipase A2 GIVA predict its membrane-associated parts and its highly hydrated binding site, In Journal of Biomolecular Structure and Dynamics, Taylor & Francis, volume 39, 2021. |
[51] | A class of Generic Approximate Sparse Pseudoinverse Matrix Techniques based on incomplete QR factorization (Lipitakis A. D., Filelis-Papadopoulos C. K., Gravvanis G. A., Anagnostopoulos, D.), In 2020 International Conference on Computational Science and Computational Intelligence (CSCI), 2020. |
[50] | Regional climate downscaling over Europe: perspectivesfrom the EURO-CORDEX community (Daniela Jacob1, Claas Teichmann1, Stefan Sobolowski, Eleni Katragkou et al), In Regional Environmental Change, 2020. |
[49] | Chemical Probes for Blocking of Influenza A M2 Wild-type and S31N Channels (Tzitzoglaki Christina, McGuire Kelly, Lagarias Panagiotis, Konstantinidi Athina, Hoffmann Anja, Fokina Natalie A., Ma Chulong, Papanastasiou Ioannis P., Schreiner Peter R., Vázquez Santiago, Schmidtke Michaela, Wang Jun, Busath David D., Kolocouris Antonios), In ACS Chemical Biology, volume 15, 2020. |
[48] | Investigation of the Drug Resistance Mechanism of M2-S31N Channel Blockers through Biomolecular Simulations and Viral Passage Experiments (Musharrafieh Rami, Lagarias Panagiotis, Ma Chunlong, Hau Raymond, Romano Alex, Lambrinidis George, Kolocouris Antonios. Wang Jun), In ACS Pharmacology & Translational Science, volume 3, 2020. |
[47] | Ebselen, Disulfiram, Carmofur, PX-12, Tideglusib, and Shikonin Are Nonspecific Promiscuous SARS-CoV-2 Main Protease Inhibitors (Ma Chunlong, Hu Yanmei, Townsend Julia Alma, Lagarias Panagiotis I., Marty Michael Thomas, Kolocouris Antonios, Wang Jun), In ACS Pharmacology & Translational Science, volume 3, 2020. |
[46] | Empirical relations for gravitational-wave asteroseismology of binary neutron star mergers (Vretinaris Stamatis, Stergioulas Nikolaos, Bauswein Andreas), In Phys. Rev. D, volume 101, 2020. |
[45] | One-year assessment of the CHAOS two-way coupled atmosphere-ocean wave modelling system over the Mediterranean and Black Seas (George Varlas, Christos Spyrou, Anastasios Papadopoulos, Gerasimos Korres, Petros Katsafados), In Mediterranean Marine Science, volume 21, 2020. |
[44] | On the interplay between the local structure and dynamics in low concentration mixtures of H2O and HOD in the [Emim+][TF2N−] room temperature ionic liquid (Ioannis Skarmoutsos, Leonidas Spyrogiannopoulos, Emmanouil Kainourgiakis and Jannis Samios), In Journal of Molecular Liquids, 2019. |
[43] | Assessment of transition modeling for high Reynolds flows (K. Diakakis, G. Papadakis, S.G. Voutsinas), In Aerosp. Sci. Technol., volume 85, 2019. |
[42] | Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist Using Molecular Dynamic Simulations, MM-PBSA and MM-GBSA Free Energy Calculations, and Mutagenesis (Lagarias, Panagiotis, Barkan, Kerry, Tzortzini, Eva, Stampelou, Margarita, Vrontaki, Eleni, Ladds, Graham and Kolocouris, Antonios), In Journal of Chemical Information and Modeling, volume 59, 2019. |
[41] | Structural Characterization of Agonist Binding to an A3 Adenosine Receptor through Biomolecular Simulations and Mutagenesis Experiments (Stamatis, Dimitrios, Lagarias, Panagiotis, Barkan, Kerry, Vrontaki, Eleni, Ladds, Graham and Kolocouris, Antonios), In Journal of Medicinal Chemistry, volume 62, 2019. |
[40] | Molecular Dynamics Simulation of Pure n-Alkanes and Their Mixtures at Elevated Temperatures Using Atomistic and Coarse-Grained Force Fields (Papavasileiou, Konstantinos D., Peristeras, Loukas D., Bick, Andreas and Economou, Ioannis G.), In The Journal of Physical Chemistry B, volume 123, 2019. |
[39] | EVALUATION OF A WRF-AUTH EURO-CORDEX 0.11 HINDCAST REGIONAL CLIMATE SIMULATION (PRESVELOU I., KARTSIOS S., KATRAGKOU E.), In Climatic Change, Variability and Climatic Risks, Thessaloniki, 29 May - 1 June 2019, 2019. |
[38] | CORDEX-WRF v1.3: development of a module for the Weather Research and Forecasting (WRF) model to support the CORDEX community (Fita, L., Polcher, J., Giannaros, T. M., Lorenz, T., Milovac, J., Sofiadis, G., Katragkou, E. and Bastin, S.), In Geoscientific Model Development, volume 12, 2019. |
[37] | 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. |
[36] | Polyelectrolyte micelles in salt-free solutions: Micelle size and electrostatic potential (Kalliopi Miliou, Leonidas N. Gergidis and Costas Vlahos), In Journal of Polymer Science Part B: Polymer Physics, volume 0, 2018. |
[35] | Analysis of a Mediterranean tropical-like cyclone and its sensitivity to the sea surface temperatures (I. Pytharoulis), In Atmospheric Research, volume 208, 2018. |
[34] | Interaction of Elemental Mercury with a Diverse Series of π-Organic Substrates Probed by Computational Methods: Is Mercury Fixation Possible? (Tsipis, Athanassios C.), In ACS Earth and Space Chemistry, volume 2, 2018. |
[33] | 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. |
[32] | 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. |
[31] | Two-dimensional Mo(SCN) 2 : a novel MoS 2 -variant (Dimitrios Kaltsas and Leonidas Tsetseris), In Journal of Physics: Condensed Matter, volume 29, 2017. |
[30] | 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. |
[29] | Parallel Semi-Aggregation Techniques for Solving Parabolic Partial Differential Equations, Chapter in , 2017. |
[28] | Near Real-Time Aerosol Predictions During the First Citizen Observatory Campaign in Greece (Athanasopoulou, E. and Speyer, O. and Apostolopoulou, S. and Papageorgiou, S. and Amiridis, V. and Gerasopoulos, E.), Chapter in (Karacostas, Theodore, Bais, Alkiviadis, Nastos, Panagiotis T., eds.), Springer International Publishing, 2017. |
[27] | 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. |
[26] | 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. |
[25] | 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. |
[24] | A framework for simulating large scale cloud infrastructures (Christos K. Filelis-Papadopoulos, George A. Gravvanis and Panagiotis E. Kyziropoulos), In Future Generation Computer Systems, 2017. |
[23] | 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. |
[22] | Parallel multi-projection preconditioned methods based on semi-aggregation techniques (Byron E. Moutafis, Christos K. Filelis-Papadopoulos and George A. Gravvanis), In Journal of Computational Science, volume 22, 2017. |
[21] | 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. |
[20] | Ab initio investigation of the AlN:Er system (Th. Pavloudis, V. Brien and J. Kioseoglou), In Computational Materials Science, volume 138, 2017. |
[19] | Molecular dynamics simulation of brushes formed by star polyelectrolytes under theta solvent conditions (Miliou, Kalliopi, Gergidis, Leonidas N. and Vlahos, Costas), In Journal of Polymer Science Part B: Polymer Physics, volume 55, 2017. |
[18] | Two-dimensional metal-phosphorus monohydrides (Leonidas Tsetseris), In FlatChem, volume 2, 2017. |
[17] | Implementation of a two-way coupled atmosphere-ocean wave modeling system for assessing air-sea interaction over the Mediterranean Sea (George Varlas, Petros Katsafados, Anastasios Papadopoulos and Gerasimos Korres), In Atmospheric Research, 2017. |
[16] | Changes in domestic heating fuel use in Greece: effects on atmospheric chemistry and radiation (Athanasopoulou, E., Speyer, O., Brunner, D., Vogel, H., Vogel, B., Mihalopoulos, N. and Gerasopoulos, E.), In Atmospheric Chemistry and Physics, volume 17, 2017. |
[15] | 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. |
[14] | An investigation of thermodynamics, microscopic structure, depolarized Rayleigh scattering, and collision dynamics in Xe-N2 supercritical mixtures (D. Dellis, J. Samios, B. Collet, H. Versmold, J. Kłos and S. Marinakis), In Journal of Molecular Liquids, volume 245, 2017. |
[13] | Dynamics of flexible peptides under the action of an electrostatic field in the gas phase (Iraklis Litinas and Andreas D. Koutselos), In Journal of Molecular Liquids, volume 245, 2017. |
[12] | 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. |
[11] | 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 (Tsalikis, Dimitrios G., Koukoulas, Thanasis, Mavrantzas, Vlasis G., Pasquino, Rossana, Vlassopoulos, Dimitris, Pyckhout-Hintzen, Wim, Wischnewski, Andreas, Monkenbusch, Michael and Richter, Dieter), In Macromolecules, volume 50, 2017. |
[10] | 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. |
[9] | 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. |
[8] | New particle formation in the southern Aegean Sea during the Etesians: importance for CCN production and cloud droplet number (Kalkavouras P., E. Bossioli, S. Bezantakos, A. Bougiatioti, N. Kalivitis, I. Stavroulas, G. Kouvarakis, A. P. Protonotariou, A. Dandou, G. Biskos, N. Mihalopoulos, A. Nenes and M. Tombrou), In Atmos. Chem. Phys., volume 17, 2017. |
[7] | Monte Carlo and experimental determination of correction factors for gamma knife perfexion small field dosimetry measurements (E Zoros, A Moutsatsos, E P Pappas, E Georgiou, G Kollias, P Karaiskos and E Pantelis), In Physics in Medicine and Biology, volume 62, 2017. |
[6] | Parallel Multi-Projection Type Methods on Hybrid CPU/MIC Cluster (Moutafis B. E., Filelis-Papadopoulos C. K., Kyziropoulos P. E., Gravvanis, G. A.), In Proceedings of the 21st Pan-Hellenic Conference on Informatics, Association for Computing Machinery, 2017. |
[5] | A parallel Self Mesh-Adaptive N-body method based on approximate inverses (Kyziropoulos, P. E. and Filelis-Papadopoulos, C. K. and Gravvanis, G. A. and Efthymiopoulos, C.), In The Journal of Supercomputing, 2017. |
[4] | 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, Oxford University Press (OUP), volume 471, 2017. |
[3] | Toward the design of a novel hybrid parallel N-body method in scope of modern cloud architectures (Kyziropoulos, P. E. and Filelis-Papadopoulos, C. K. and Gravvanis, G. A. and Efthymiopoulos, C.), In The Journal of Supercomputing, 2017. |
[2] | Large-scale simulation of a self-organizing self-management cloud computing framework (Filelis-Papadopoulos, Christos K. and Giannoutakis, Konstantinos M. and Gravvanis, George A. and Tzovaras, Dimitrios), In The Journal of Supercomputing, 2017. |
[1] | Functionalization of two-dimensional phthalo-carbonitride with metal atoms (Tsetseris, Leonidas), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 18, 2016. |