Publications - Year: 2020
2020
[123] Application of Multiscale Computational Techniques to the Study of Magnetic Nanoparticle Systems (, and ), In Parallel Processing and Applied Mathematics, Springer International Publishing, . [bibtex] [url]
[122] A GPU-based algorithm for efficient LES of high Reynolds number flows in heterogeneous CPU/GPU supercomputers (, , and ), In Applied Mathematical Modelling, volume 85, . [bibtex] [url] [doi]
[121] ChemBioServer 2.0: an advanced web server for filtering, clustering and networking of chemical compoundsfacilitating both drug discovery and repurposing (), In Bioinformatics, volume , . [bibtex] [pdf] [doi]
[120] 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), . [bibtex] [url] [doi]
[119] A Coupled Artificial Compressibility Method for Free Surface Flows (), In Journal of Marine Science and Engineering, volume 8, . [bibtex] [url] [doi]
[118] Towards simulation and optimization of cache placement on large virtual content distribution networks (, , , , , , , and ), In Journal of Computational Science, volume 39, . [bibtex] [url] [doi]
[117] Parallel implementation of the Image Block Representation using OpenMP (, and ), In Journal of Parallel and Distributed Computing, volume 137, . [bibtex] [url] [doi]
[116] A Multilayered Electron Extracting System for Efficient Perovskite Solar Cells (), In Advanced Functional Materials, volume 30, . [bibtex] [url] [doi]
[115] 17.1% Efficient Single‐Junction Organic Solar Cells Enabled by n‐Type Doping of the Bulk‐Heterojunction, In Advanced Science, volume 7, . [bibtex] [url] [doi]
[114] Internal variability versus multi-physics uncertainty in a regional climate model (), In International Journal of Climatology, . [bibtex] [url] [doi]
[113] Structure and Conformation of a Crystalline P3HT Film Adsorbed on an Alkanethiol Self‐Assembled Monolayer Deposited on Gold (), In Macromolecular Theory and Simulations, volume 29, . [bibtex] [url] [doi]
[112] Conformation and Diffusivity of Ring and Linear Polyethylene Oxide in Aqueous Solution: Molecular Topology Dependent Concentration Effects and Comparison with Experimental Data (), In Macromolecular Theory and Simulations, volume 29, . [bibtex] [url] [doi]
[111] Mixed brushes consisting of oppositely charged Y‐shaped polymers in salt free, monovalent, and divalent salt solutions (), In Journal of Polymer Science, volume 58, . [bibtex] [url] [doi]
[110] Neurons (), In Experimental Medicine and Biology, volume 1194, . [bibtex] [url] [doi]
[109] Regularized Evolution for Macro Neural Architecture Search (), In Maglogiannis I., Iliadis L., Pimenidis E. (eds) Artificial Intelligence Applications and Innovations. AIAI 2020. IFIP Advances in Information and Communication Technology, volume 584, . [bibtex] [url] [doi]
[108] Complex Langevin analysis of the spontaneous breaking of 10D rotational symmetry in the Euclidean IKKT matrix model (), In Journal of High Energy Physics, volume 2020, . [bibtex] [url] [doi]
[107] Regional climate downscaling over Europe: perspectivesfrom the EURO-CORDEX community (), In Regional Environmental Change, . [bibtex] [url] [doi]
[106] Variability of water exchanges through the Strait of Hormuz (), In Ocean Dynamics, volume 70, . [bibtex] [url] [doi]
[105] The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations (), In Journal of Computer-Aided Molecular Design, volume , . [bibtex] [url] [doi]
[104] A GPU-based algorithm for efficient LES of high Reynolds number flows in heterogeneous CPU/GPU supercomputers (), In Applied Mathematical Modelling, volume 85, . [bibtex] [url] [doi]
[103] An adaptation of the immersed boundary method for turbulent flows over three-dimensional coastal/fluvial beds (), In Applied Mathematical Modelling, volume 88, . [bibtex] [url] [doi]
[102] Towards high-performance electrochemical thermal energy harvester based on ferrofluids (), In Applied Materials Today, volume 19, . [bibtex] [url] [doi]
[101] Direct aerosol absorption at the Eastern Mediterranean ( and ), In Atmos. Environ., volume 231, . [bibtex] [url] [doi]
[100] Coating of magnetic nanoparticles affects their interactions with model cell membranes (), In Biochimica et Biophysica Acta (BBA) - General Subjects, volume 1864, . [bibtex] [url] [doi]
[99] Exploring the role of the membrane bilayer in the recognition of candesartan by its GPCR AT1 receptor (), In Biochimica et Biophysica Acta (BBA) - Biomembranes, volume 1862, . [bibtex] [url] [doi]
[98] The boundary lipid around DMPC-spanning influenza A M2 transmembrane domain channels: Its structure and potential for drug accommodation (), In Biochimica et Biophysica Acta (BBA)- Biomembranes, volume 1862, . [bibtex] [url] [doi]
[97] A reduced-order shifted boundary method for parametrized incompressible Navier–Stokes equations (, , , and ), In Computer Methods in Applied Mechanics and Engineering, volume 370, . [bibtex] [url] [doi]
[96] Effect of micropolar fluid properties on the hydraulic permeability of fibrous biomaterials (), In Computer Methods and Programs in Biomedicine, volume 185, . [bibtex] [url] [doi]
[95] Collagen fibril diameter distribution affects permeability of ligament tissue: A computational study on healthy and injured tissues (), In Computer Methods and Programs in Biomedicine, volume 196, . [bibtex] [url] [doi]
[94] Molecular dynamics simulation of the n-octacosane-water mixture confined in hydrophilic and hydrophobic mesopores: The effect of oxygenates (), In Fluid Phase Equilibria, volume 526, . [bibtex] [url] [doi]
[93] Dissolved oxygen variability in the Mediterranean Sea (), In J. Mar. Syst., volume 115, . [bibtex] [url] [doi]
[92] A note on parallel approximate pseudoinverse matrix techniques for solving linear least squares problems (), In Journal of Computational Science, volume 41, . [bibtex] [url] [doi]
[91] Investigating the impact of atmosphere-wave-ocean interactions on a Mediterranean tropical-like cyclone. (), In Ocean Modelling, volume 153, . [bibtex] [url] [doi]
[90] Revisiting the assumptions and implementation details of the BAY model for vortex generator flows (), In Renewable Energy, volume 146, . [bibtex] [url] [doi]
[89] Allostery in membrane proteins (), In Current Opinion in Structural Biology, volume 62, . [bibtex] [url] [doi]
[88] NORD: A python framework for Neural Architecture Search (), In Software Impacts, volume 6, . [bibtex] [url] [doi]
[87] Urban mitigation and building adaptation to minimize the future cooling energy needs ( and ), In Solar Energy, volume 204, . [bibtex] [url] [doi]
[86] Innovative education and training in high power laser plasmas (PowerLaPs) for plasma physics, high power laser matter interactions and high energy density physics: experimental diagnostics and simulations (), In High Power Laser Science and Engineering, volume 8, . [bibtex] [url] [doi]
[85] Quantitative Prediction of the Structure and Viscosity of Aqueous Micellar Solutions of Ionic Surfactants: A Combined Approach Based on Coarse-Grained MARTINI Simulations Followed by Reverse-Mapped All-Atom Molecular Dynamics Simulations (), In J. Chem. Theory Comput., volume 16, . [bibtex] [url] [doi]
[84] Binding Dynamics of siRNA with selected Lipopeptides: A Computer-Aided Study of the Effect of Lipopeptides’ Functional Groups and Stereoisomerism (), In J. Chem. Theory Comput., volume 16, . [bibtex] [url] [doi]
[83] Self-assembly of Alanine-Isoleucine and Isoleucine-Isoleucine Dipeptides through Atomistic Simulations and Experiments (), In J. Phys. Chem. B, . [bibtex] [url] [doi]
[82] Effect of pH and Molecular Length on the Structure and Dynamics of Linear and Short-Chain Branched Poly(ethylene imine) in Dilute Solution: Scaling Laws from Detailed Molecular Dynamics Simulations (), In J. Phys. Chem. B, volume 124, . [bibtex] [url] [doi]
[81] Revealing the Origin of the Specificity of Calcium and Sodium Cations Binding to Adsorption Monolayers of Two Anionic Surfactants (), In The Journal of Physical Chemistry B, volume 124, . [bibtex] [url] [doi]
[80] Effect of polymer concentration on the structure and dynamics of short poly(n,n-dimethylaminoethyl methacrylate) in aqueous solution: A combined experimental and molecular dynamics study (), In J. Phys. Chem. B, volume 124, . [bibtex] [url] [doi]
[79] Molecular Dynamics Simulations of Hydrated Poly(amidoamine) Dendrimer/Graphene Oxide Nanocomposite Membranes (), In J. Phys. Chem. C, . [bibtex] [url] [doi]
[78] Modeling the Hydration-Induced Structural Transitions of the SAPO-34 Zeolite and Their Impact on the Water’s Sorbed Phase Equilibrium and Dynamics (), In J. Phys. Chem. C, volume 124, . [bibtex] [url] [doi]
[77] Hole Transfer in Cumulenic and Polyynic Carbynes (), In The Journal of Physical Chemistry, volume 124, . [bibtex] [url] [doi]
[76] Zinc Vacancy–Hydrogen Complexes as Major Defects in ZnO Nanowires Grown by Chemical Bath Deposition (), In J. Phys. Chem. C, volume 124, . [bibtex] [url] [doi]
[75] Observation of the Direct Energy Band Gaps of Defect-Tolerant Cu3N by Ultrafast Pump-Probe Spectroscopy (), In The Journal of Physical Chemistry C, volume 124, . [bibtex] [url] [doi]
[74] A Computational Strategy for the Design of Photochromic Derivatives Based on Diarylethene and Nickel Dithiolene with Large Contrast in Nonlinear Optical Properties (), In The Journal of Physical Chemistry C, volume , . [bibtex] [url] [doi]
[73] Molecular Dynamics Simulation of the Diffusion Dynamics of Linear DNA Fragments in Dilute Solution with the Parmbsc1 Force Field and Comparison with Experimental Data and Theoretical Models (), In Macromolecules, volume 53, . [bibtex] [url] [doi]
[72] Geometric Analysis of Clusters of Free Volume Accessible to Small Penetrants and Their Connectivity in Polymer Nanocomposites Containing Carbon Nanotubes (), In Macromolecules, volume 53, . [bibtex] [url] [doi]
[71] Molecular Simulations and Mechanistic Analysis of the Effect of CO2 Sorption on Thermodynamics, Structure, and Local Dynamics of Molten Atactic Polystyrene (), In Macromolecules, volume 53, . [bibtex] [url] [doi]
[70] Molecular Dynamics Simulation of Amorphous Poly(3-hexylthiophene) (), In Macromolecules, volume 53, . [bibtex] [url] [doi]
[69] Phase Boundary and Salt Partitioning in Coacervate Complexes Formed between Poly(acrylic acid) and Poly(N,N-dimethylaminoethyl methacrylate) from Detailed Atomistic Simulations Combined with Free Energy Perturbation and Thermodynamic Integration Calculations (), In Macromolecules, volume 53, . [bibtex] [url] [doi]
[68] Conformational and Dynamic Properties of Short DNA Minicircles in Aqueous Solution from Atomistic Molecular Dynamics Simulations (), In Macromolecules, volume 53, . [bibtex] [url] [doi]
[67] Bound Layer Polymer Behavior on Graphene and Graphene Oxide Nanosheets (), In Macromolecules, volume 53, . [bibtex] [url] [doi]
[66] Size and Diffusivity of Polymer Rings in Linear Polymer Matrices: The Key Role of Threading Events (), In Macromolecules, volume 53, . [bibtex] [url] [doi]
[65] Decorated Dislocations against Phonon Propagation for Thermal Management (), In ACS Applied Energy Materials, volume 3, . [bibtex] [url] [doi]
[64] Chemical Probes for Blocking of Influenza A M2 Wild-type and S31N Channels (), In ACS Chemical Biology, volume 15, . [bibtex] [url] [doi]
[63] Self-assembled Monolayer Enables HTL-free Organic Solar Cells with 18% Efficiency and Improved Operational Stability ( and ), In ACS Energy Letters, volume in press, . [bibtex] [url] [doi]
[62] A Simple n-Dopant Derived from Diquat Boosts the Efficiency of Organic Solar Cells to 18.3% ( and ), In ACS Energy Lett., volume 5, . [bibtex] [url] [doi]
[61] 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, . [bibtex] [url]
[60] Ebselen, Disulfiram, Carmofur, PX-12, Tideglusib, and Shikonin Are Nonspecific Promiscuous SARS-CoV-2 Main Protease Inhibitors (), In ACS Pharmacology & Translational Science, volume 3, . [bibtex] [url] [doi]
[59] Large-eddy simulation of turbulent oscillatory flow over three-dimensional transient vortex ripple formations in quasi-equilibrium (), In Journal of Geophysical Research, volume 125, . [bibtex] [url] [doi]
[58] Water stable molecular n-doping produces organic electrochemical transistors with high transconductance and record stability (), In Nature Communications, volume 11, . [bibtex] [url] [doi]
[57] Pharmacological characterisation of novel adenosine A3 receptor antagonists (), In Nature Scientific Reports, volume 10, . [bibtex] [url] [doi]
[56] Unravelling the effect of the E545K mutation on PI3Kα kinase ( and ), In Chemical Science, volume , . [bibtex] [url] [doi]
[55] Self-assembly of diphenylalanine peptides on graphene via detailed atomistic simulations (), In Phys. Chem. Chem. Phys., volume 22, . [bibtex] [url] [doi]
[54] Complexation of single stranded RNA with an ionizable lipid: an all-atom molecular dynamics simulation study (), In Soft Matter, volume 16, . [bibtex] [url] [doi]
[53] A universal solution processed interfacial bilayer enabling ohmic contact in organic and hybrid optoelectronic devices (), In Energy and Environmental Science, volume 13, . [bibtex] [url] [doi]
[52] Polarization Lidar for Detecting Dust Orientation (), In EPJ Web Conf., volume 237, . [bibtex] [url] [doi]
[51] USINGTHE PHYSICALOPTICS APPROXIMATION FOR ESTIMATINGTHE LIGHT SCATTERING PROPERTIES OFLARGE DUST PARTICLES FOR LIDAR APPLICATIONS (), In EPJ Web Conferences, volume 237, . [bibtex] [pdf] [doi]
[50] Structural anomalies in brain networks induce dynamical pacemaker effects (), In Chaos: An Interdisciplinary Journal of Nonlinear Science, volume 30, . [bibtex] [url] [doi]
[49] Dynamical heterogeneities in non-entangled polystyrene and poly(ethylene oxide) star melts (, , and ), In Physics of Fluids, volume 32, . [bibtex] [url] [doi]
[48] Atomistic Simulations of Long-Chain Polyethylene Melts Flowing Past Gold Surfaces: Structure and Wall-Slip (), In Mol. Phys., volume 17, . [bibtex] [url] [doi]
[47] Transient heat transfer in fibrous multi-scale composites: A semi-analytical model and its numerical validation (), In Numerical Heat Transfer, Part A: Applications, volume 77, . [bibtex] [url] [doi]
[46] Dosimetric evaluation of the Leksell GammaPlan Convolution dose calculation algorithm (), In Physics in Medicine & Biology, volume 65, . [bibtex] [url] [doi]
[45] Target normal sheath acceleration and laser wakefield acceleration particle-in-cell simulations performance on CPU & GPU architectures for high-power laser systems ( and ), In Plasma Physics and Controlled Fusion, volume 62, . [bibtex] [url] [doi]
[44] A numerical study on laboratory plasma dynamics validated by low current x-pinch experiments (), In Plasma Physics and Controlled Fusion, volume 62, . [bibtex] [url] [doi]
[43] Dynamics of the heat affected zone and induced strains in laser machining below ablation threshold (), In IOP Conference Series: Materials Science and Engineering, volume 916, . [bibtex] [url] [doi]
[42] Dynamics of the heat affected zone and induced strains in laser machining below ablation threshold (), In 2020 IOP Conf. Ser.: Mater. Sci. Eng., volume 916, . [bibtex] [url] [doi]
[41] Chimera states formed via a two-level synchronization mechanism (), In ournal of Physics: Complexity, volume 1, . [bibtex] [url] [doi]
[40] Chimera states formed via a two-level synchronization mechanism (), In Journal of Physics: Complexity, volume 1, . [bibtex] [url] [doi]
[39] The importance of the laser pulse-ablator interaction dynamics prior to the ablation plasmaphase in inertial confinement fusion studies (), In Philosophical Transactions of the Royal Society A, volume 378, . [bibtex] [url] [doi]
[38] Strong spin-orbit torque effect on magnetic defects due to topological surface state electrons in Bi2Te3 ( and ), In Phys. Rev. B, volume 102, . [bibtex] [url] [doi]
[37] Empirical relations for gravitational-wave asteroseismology of binary neutron star mergers (), In Phys. Rev. D, volume 101, . [bibtex] [url] [doi]
[36] Transcriptome reprogramming and myeloid skewing in haematopoietic stem and progenitor cells in systemic lupus erythematosus (), In Annals of the Rheumatic Diseases, volume 79, . [bibtex] [url] [doi]
[35] Chimera states in Leaky Integrate-and-Fire dynamics with power law coupling (), In The European Physical Journal B, volume 93, . [bibtex] [url] [doi]
[34] The opposing effects of reforestation and afforestation on the diurnal temperature cycle at the surface and in the lowest atmospheric model level in the European summer (), In Journal of Climate, volume 33, . [bibtex] [url] [doi]
[33] 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, . [bibtex] [url] [doi]
[32] Numerical study of magnetic particles mixing in waste water under an external magnetic field (), In C. Liosis, E. G. Karvelas, T. Karakasidis, I. E. Sarris, volume 69, . [bibtex] [url] [doi]
[31] New perspectives on the emergence of (3+1)D expanding space-time in the Lorentzian type IIB matrix model (), In PoS, volume CORFU2019, . [bibtex] [url] [doi]
[30] GRNET transnational access success story (), Technical report, , . [bibtex] [url] [doi]
[29] High-Resolution Solar Climate Atlas for Greece under Climate Change Using the Weather Research and Forecasting (WRF) Model (), In Atmosphere, volume 11, . [bibtex] [url] [doi]
[28] Pulling Simulations and Hydrogen Sorption Modelling on Carbon Nanotube Bundles (), In Journal of Carbon Research C, volume 6, . [bibtex] [url] [doi]
[27] A Sensitivity Study of High‐Resolution Climate Simulations for Greece (), In Climate, volume 8, . [bibtex] [url] [doi]
[26] Effect of Micropolar Fluid Properties on the Blood Flow in a Human Carotid Model (), In Fluids, volume 5, . [bibtex] [url] [doi]
[25] Wave and hydrodynamic processes in the vicinity of a rubble-mound, permeable, zero-freeboard breakwater (), In Journal of Marine Science and Engineering, volume 8, . [bibtex] [url] [doi]
[24] Developing a Pilot Operational Oceanography System for an Enclosed Basin (), In J. Mar. Sci. Eng., volume 8, . [bibtex] [url] [doi]
[23] Free-Surface Effects on the Performance of Flapping-Foil Thruster for Augmenting Ship Propulsion in Waves (), In Journal of Marine Science and Engineering, volume 8, . [bibtex] [url] [doi]
[22] The Impact of Tides on the Bay of Biscay Dynamics (), In Journal of Marine Science and Engineering, volume 8, . [bibtex] [url] [doi]
[21] Hole transfer in open carbynes (), In Materials, volume 13, . [bibtex] [url] [doi]
[20] Assessing the Direct Binding of Ark-Like E3 RING Ligases to Ubiquitin and Its Implication on Their Protein Interaction Network (), In Molecules, volume 25, . [bibtex] [url] [doi]
[19] Dynamic Heterogeneity in Ring-Linear Polymer Blends (), In Polymers, volume 12, . [bibtex] [url] [doi]
[18] Implementation of a Nowcasting Hydrometeorological System for Studying Flash Flood Events: The Case of Mandra, Greece (), In Remote Sensing, volume 12, . [bibtex] [url] [doi]
[17] Analysis of the Heat Affected Zone and Surface Roughness during Laser Micromachining of Metals (, , , , , , , , , , and ), In Advances in Fracture and Damage Mechanics XVIII, volume 827, . [bibtex] [url] [doi]
[16] A Study on the Influence of Laser Parameters on Laser-Assisted Machining of AISI H-13 Steel (, , , , and ), In Advances in Fracture and Damage Mechanics XVIII, volume 827, . [bibtex] [url] [doi]
[15] Preliminary study of Compound Events in Greece using high-resolution downscaled climate data (), In 2020 EGU General Assembly, . [bibtex] [url] [doi]
[14] High resolution solar atlas for Greece under climate change (), In 2020 EGU General Assembly, . [bibtex] [url] [doi]
[13] Biogeophysical impacts of forestation in Europe: first results from the LUCAS (Land Use and Climate Across Scales) regional climate model intercomparison (, , , , , , , , , , , , , , , , and ), In Earth System Dynamics, volume 11, . [bibtex] [url] [doi]
[12] Description and evaluation of a detailed gas-phase chemistry scheme in the TM5-MP global chemistry transport model (r112) (), In Geoscientific Model Development, volume 13, . [bibtex] [url] [doi]
[11] An explicit estimate of the atmospheric nutrient impact on global oceanic productivity (, , and ), In Ocean Science, volume 16, . [bibtex] [url] [doi]
[10] High-Resolution Solar Climate Atlas for Greece under Climate Change Using the Weather Research and Forecasting (WRF) Model (), In Atmosphere, volume 11, . [bibtex] [url] [doi]
[9] The effect of reduced training in neural architecture search (), In Neural Computing & Applications, . [bibtex] [url] [doi]
[8] An explicit estimate of the atmospheric nutrient impact on global oceanic productivity (, , and ), In Ocean Science, volume 16, . [bibtex] [url] [doi]
[7] Injecting Carbon Nanostructures in Living Cells (), In Proceedings of the Workshops of the 11th EETN Conference on Artificial Intelligence, volume 2844, . [bibtex] [url]
[6] Exploiting the limit of BEM solvers in moonpool type floaters (), In Journal of Physics Conference Series, volume 1618, . [bibtex] [url] [doi]
[5] Cut finite element error estimates for a class of nonliner elliptic PDEs (, and ), In , . [bibtex] [url] [doi]
[4] Chapter 5: Molecular dynamics simulations of graphene-based polymer nanocomposites, in Carbon-Based Smart Materials (), Chapter in , De Gruyter, . [bibtex] [url]
[3] Numerical-relativity simulations of long-lived remnants of binary neutron star mergers (, , , , and ), In Phys. Rev. D, American Physical Society, volume 101, . [bibtex] [url] [doi]
[2] Development of a fluid structure interaction tool based on an actuator line model (), In Journal of Physics: Conference Series, volume 1618, . [bibtex] [url] [doi]
[1] A first-of-its-kind multi-model convection permitting ensemble for investigating convective phenomena over Europe and the Mediterranean (), In Climate Dynamics, . [bibtex] [url] [doi]