Publications

57 results
2022
[57] A comprehensive study of the onset of boundary layer separation in the unbounded flow around a circular cylinder (, , and ), In Physics of Fluids, volume 34, . [details] [pdf] [doi]
[56] 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 (, , and ), In Journal of Molecular Liquids, volume 365, . [details] [pdf] [doi]
2021
[55] Inside and Out of the Pore: Comparing Interactions and Molecular Dynamics of Influenza A M2 Viroporin Complexes in Standard Lipid Bilayers (, and ), In Journal of Chemical Information and Modeling, . [details] [pdf] [doi]
[54] 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, . [details] [pdf] [doi]
[53] Investigation of the Drug Resistance Mechanism of M2-S31N Channel Blockers through Biomolecular Simulations and Viral Passage Experiments (), In ACS Pharmacology & Translational Science, volume 3, . [details] [pdf]
[52] The effect of S427F mutation on RXRα activity depends on its dimeric partner (), In Chem. Sci., . [details] [pdf] [doi]
[51] The Saharan convective boundary layer structure over large scale surface heterogeneity: A large eddy simulation study (), In Atmospheric Research, volume 248, . [details] [pdf] [doi]
2020
[50] Empirical relations for gravitational-wave asteroseismology of binary neutron star mergers (), In Phys. Rev. D, volume 101, . [details] [pdf] [doi]
[49] Ebselen, Disulfiram, Carmofur, PX-12, Tideglusib, and Shikonin Are Nonspecific Promiscuous SARS-CoV-2 Main Protease Inhibitors (), In ACS Pharmacology & Translational Science, volume 3, . [details] [pdf] [doi]
[48] A class of Generic Approximate Sparse Pseudoinverse Matrix Techniques based on incomplete QR factorization (), In 2020 International Conference on Computational Science and Computational Intelligence (CSCI), . [details] [pdf] [doi]
[47] Chemical Probes for Blocking of Influenza A M2 Wild-type and S31N Channels (), In ACS Chemical Biology, volume 15, . [details] [pdf] [doi]
[46] One-year assessment of the CHAOS two-way coupled atmosphere-ocean wave modelling system over the Mediterranean and Black Seas (), In Mediterranean Marine Science, volume 21, . [details] [pdf] [doi]
[45] Regional climate downscaling over Europe: perspectivesfrom the EURO-CORDEX community (), In Regional Environmental Change, . [details] [pdf] [doi]
2019
[44] Structural Characterization of Agonist Binding to an A3 Adenosine Receptor through Biomolecular Simulations and Mutagenesis Experiments (, , , , and ), In Journal of Medicinal Chemistry, volume 62, . [details] [pdf] [doi]
[43] 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 (, , , , , and ), In Journal of Chemical Information and Modeling, volume 59, . [details] [pdf] [doi]
[42] Molecular Dynamics Simulation of Pure n-Alkanes and Their Mixtures at Elevated Temperatures Using Atomistic and Coarse-Grained Force Fields (, , and ), In The Journal of Physical Chemistry B, volume 123, . [details] [pdf] [doi]
[41] EVALUATION OF A WRF-AUTH EURO-CORDEX 0.11 HINDCAST REGIONAL CLIMATE SIMULATION (), In Climatic Change, Variability and Climatic Risks, Thessaloniki, 29 May - 1 June 2019, . [details] [pdf]
[40] Assessment of transition modeling for high Reynolds flows (), In Aerosp. Sci. Technol., volume 85, . [details] [pdf] [doi]
[39] CORDEX-WRF v1.3: development of a module for the Weather Research and Forecasting (WRF) model to support the CORDEX community (, , , , , , and ), In Geoscientific Model Development, volume 12, . [details] [pdf] [doi]
[38] 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 (, , and ), In Journal of Molecular Liquids, . [details] [pdf] [doi]
2018
[37] Analysis of a Mediterranean tropical-like cyclone and its sensitivity to the sea surface temperatures (), In Atmospheric Research, volume 208, . [details] [pdf] [doi]
[36] Interaction of Elemental Mercury with a Diverse Series of π-Organic Substrates Probed by Computational Methods: Is Mercury Fixation Possible? (), In ACS Earth and Space Chemistry, volume 2, . [details] [pdf] [doi]
[35] 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 (, , , , , , , , and ), In Advanced Science, volume 5, . [details] [pdf] [doi]
[34] Convective Excitation of Inertial Modes in Binary Neutron Star Mergers (, , , , , and ), In Phys. Rev. Lett., American Physical Society, volume 120, . [details] [pdf] [doi]
[33] Polyelectrolyte micelles in salt-free solutions: Micelle size and electrostatic potential (, and ), In Journal of Polymer Science Part B: Polymer Physics, volume 0, . [details] [pdf] [doi]
2017
[32] Parallel Multi-Projection Type Methods on Hybrid CPU/MIC Cluster (), In Proceedings of the 21st Pan-Hellenic Conference on Informatics, Association for Computing Machinery, . [details] [pdf] [doi]
[31] An investigation of thermodynamics, microscopic structure, depolarized Rayleigh scattering, and collision dynamics in Xe-N2 supercritical mixtures (, , , , and ), In Journal of Molecular Liquids, volume 245, . [details] [pdf] [doi]
[30] Dynamics of flexible peptides under the action of an electrostatic field in the gas phase ( and ), In Journal of Molecular Liquids, volume 245, . [details] [pdf] [doi]
[29] New particle formation in the southern Aegean Sea during the Etesians: importance for CCN production and cloud droplet number ( and ), In Atmos. Chem. Phys., volume 17, . [details] [pdf] [doi]
[28] Semi-analytic derivation of the threshold mass for prompt collapse in binary neutron-star mergers ( and ), In Monthly Notices of the Royal Astronomical Society, Oxford University Press (OUP), volume 471, . [details] [pdf] [doi]
[27] Two-dimensional thio- and seleno-cyanates of Mo and W (, and ), In Journal of Physics: Condensed Matter, volume 29, . [details] [pdf] [doi]
[26] Semi-analytic derivation of the threshold mass for prompt collapse in binary neutron-star mergers ( and ), In Monthly Notices of the Royal Astronomical Society, volume 471, . [details] [pdf] [doi]
[25] A microscopic view of graphene-oxide/poly(acrylic acid) physical hydrogels: effects of polymer charge and graphene oxide loading ( and ), In Soft Matter, The Royal Society of Chemistry, . [details] [pdf] [doi]
[24] Neutron-star Radius Constraints from GW170817 and Future Detections (, , and ), In The Astrophysical Journal Letters, volume 850, . [details] [pdf] [doi]
[23] Molecular Simulations of Free and Graphite Capped Polyethylene Films: Estimation of the Interfacial Free Energies (, , , , , and ), In Macromolecules, volume 50, . [details] [pdf] [doi]
[22] Implementation of a two-way coupled atmosphere-ocean wave modeling system for assessing air-sea interaction over the Mediterranean Sea (, , and ), In Atmospheric Research, . [details] [pdf] [doi]
[21] Monte Carlo and experimental determination of correction factors for gamma knife perfexion small field dosimetry measurements (, , , , , and ), In Physics in Medicine and Biology, volume 62, . [details] [pdf] [doi]
[20] Summary of the Blind Test Campaign to predict the High Reynolds number performance of DU00-W-210 airfoil (, , , , , , , , , and ), In 35th Wind Energy Symposium, . [details] [pdf] [doi]
[19] Two-dimensional Mo(SCN) 2 : a novel MoS 2 -variant ( and ), In Journal of Physics: Condensed Matter, volume 29, . [details] [pdf] [doi]
[18] Intrinsic point defects in buckled and puckered arsenene: a first-principles study (, , , and ), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 19, . [details] [pdf] [doi]
[17] Ab initio investigation of the AlN:Er system (, and ), In Computational Materials Science, volume 138, . [details] [pdf] [doi]
[16] Changes in domestic heating fuel use in Greece: effects on atmospheric chemistry and radiation (, , , , , and ), In Atmospheric Chemistry and Physics, volume 17, . [details] [pdf] [doi]
[15] Near Real-Time Aerosol Predictions During the First Citizen Observatory Campaign in Greece (), Chapter in (Karacostas, Theodore, Bais, Alkiviadis, Nastos, Panagiotis T., eds.), Springer International Publishing, . [details] [pdf] [doi]
[14] Pragmatic analysis of the electric submerged arc furnace continuum (, , and ), In Royal Society Open Science, The Royal Society, volume 4, . [details] [pdf] [doi]
[13] Molecular dynamics simulation of brushes formed by star polyelectrolytes under theta solvent conditions (, and ), In Journal of Polymer Science Part B: Polymer Physics, volume 55, . [details] [pdf] [doi]
[12] Two-dimensional metal-phosphorus monohydrides (), In FlatChem, volume 2, . [details] [pdf] [doi]
[11] Magnetic two-dimensional C3N2 carbonitrides: semiconductors, metals and half-metals ( and ), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 19, . [details] [pdf] [doi]
[10] 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 (, , , , , , , and ), In Macromolecules, volume 50, . [details] [pdf] [doi]
[9] Parallel multi-projection preconditioned methods based on semi-aggregation techniques (, and ), In Journal of Computational Science, volume 22, . [details] [pdf] [doi]
[8] A parallel Self Mesh-Adaptive N-body method based on approximate inverses (), In The Journal of Supercomputing, . [details] [pdf] [doi]
[7] Toward the design of a novel hybrid parallel N-body method in scope of modern cloud architectures (), In The Journal of Supercomputing, . [details] [pdf] [doi]
[6] A framework for simulating large scale cloud infrastructures (, and ), In Future Generation Computer Systems, . [details] [pdf] [doi]
[5] Large-scale simulation of a self-organizing self-management cloud computing framework (), In The Journal of Supercomputing, . [details] [pdf] [doi]
[4] Parallel Semi-Aggregation Techniques for Solving Parabolic Partial Differential Equations, Chapter in , . [details] [pdf] [doi]
[3] Predictions of water/oil interfacial tension at elevated temperatures and pressures: A molecular dynamics simulation study with biomolecular force fields (, and ), In Fluid Phase Equilibria, . [details] [pdf] [doi]
[2] Modeling of Bulk Kerogen Porosity: Methods for Control and Characterization (, , and ), In Energy & Fuels, volume 31, . [details] [pdf] [doi]
2016
[1] Functionalization of two-dimensional phthalo-carbonitride with metal atoms (), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 18, . [details] [pdf] [doi]