Δημοσιεύσεις

4th Production Call (21)

2019
[21] Natural Gas Processing from Midstream to Downstream (), . [details] [pdf]
[20] Prediction of four concentration moments of an airborne material released from a point source in an urban environment (), In Journal of Wind Engineering and Industrial Aerodynamics, volume 184, . [details] [pdf] [doi]
[19] Prediction of the wind speed probabilities in the atmospheric surface layer (, , , and ), In Renewable Energy, volume 132, . [details] [pdf] [doi]
2018
[18] Hole-doped 2D InSe for spintronic applications (, , , , and ), In ACS Applied Nano Materials, . [details] [pdf] [doi]
[17] Discovery of Novel Adenosine Receptor Antagonists through a Combined Structure- and Ligand-Based Approach Followed by Molecular Dynamics Investigation of Ligand Binding Mode (, , , , , , , and ), In Journal of Chemical Information and Modeling, volume 58, . [details] [pdf] [doi]
[16] Molecular Dynamics Simulation of Water-Based Fracturing Fluids in Kaolinite Slit Pores (, , , , and ), In The Journal of Physical Chemistry C, volume 122, . [details] [pdf] [doi]
[15] Transport Properties of Shale Gas in Relation to Kerogen Porosity (, , and ), In The Journal of Physical Chemistry C, volume 122, . [details] [pdf] [doi]
[14] Enhanced thermal conductivity in percolating nanocomposites: a molecular dynamics investigation (, , , , , , , and ), In Nanoscale, The Royal Society of Chemistry, . [details] [pdf] [doi]
[13] Ab initio quantum transport in AB-stacked bilayer penta-silicene using atomic orbitals (, and ), In RSC Adv., The Royal Society of Chemistry, volume 8, . [details] [pdf] [doi]
[12] A Class of Symmetric Factored Approximate Inverses and Hybrid Two-Level Solver (, and ), In International Journal of Computational Methods, volume 15, . [details] [pdf] [doi]
[11] Parallel Schur Complement Techniques Based on Multiprojection Methods (, and ), In SIAM Journal on Scientific Computing, volume 40, . [details] [pdf] [doi]
[10] Molecular Dynamics Study of an Atactic Poly(methyl methacrylate)-Carbon Nanotube Nanocomposite (, and ), In The Journal of Physical Chemistry B, American Chemical Society, . [details] [pdf] [doi]
[9] Evaluation of an inverse modelling methodology for the prediction of a stationary point pollutant source in complex urban environments (, , , , and ), In Building and Environment, volume 143, . [details] [pdf] [doi]
[8] Copper (I) Selenocyanate (CuSeCN) as a Novel Hole‐Transport Layer for Transistors, Organic Solar Cells, and Light‐Emitting Diodes (, , , , , , , , , , , and ), In Advanced Functional Materials, volume 28, . [details] [pdf] [doi]
[7] p‐Doping of Copper(I) Thiocyanate (CuSCN) Hole‐Transport Layers for High‐Performance Transistors and Organic Solar Cells (, , , , , , , , , and ), In Advanced Functional Materials, volume 0, . [details] [pdf] [doi]
[6] Defect Perovskites under Pressure: Structural Evolution of Cs2SnX6 (X = Cl, Br, I) (, , , , , , , , , and ), In The Journal of Physical Chemistry C, volume 122, . [details] [pdf] [doi]
[5] Large Eddy Simulation study on the structure of turbulent flow in a complex city (, , , , and ), In Journal of Wind Engineering and Industrial Aerodynamics, volume 177, . [details] [pdf] [doi]
[4] Pressure- and Temperature-Induced Monoclinic-to-Orthorhombic Phase Transition in Silicalite-1 (, , and ), In The Journal of Physical Chemistry C, . [details] [pdf] [doi]
[3] Mobility and settling rate of agglomerates of polydisperse nanoparticles (, , , and ), In The Journal of Chemical Physics, volume 148, . [details] [pdf] [doi]
[2] Impact of Screw and Edge Dislocations on the Thermal Conductivity of Individual Nanowires and Bulk GaN: a Molecular Dynamics study (, , , , and ), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, . [details] [pdf] [doi]
2017
[1] Molecular Dynamics Phenomena of Water in the Metalorganic Framework MIL-100(Al), as Revealed by Pulsed Field Gradient NMR and Atomistic Simulation (, , , , , , , , , and ), In The Journal of Physical Chemistry C, volume 121, . [details] [pdf] [doi]

3rd Production Call (4)

2018
[4] A first-of-its-kind multi-model convection permitting ensemble for investigating convective phenomena over Europe and the Mediterranean (), In Climate Dynamics, . [details] [pdf] [doi]
[3] αCGRP, another amyloidogenic member of the CGRP family (, , , , , and ), In Journal of Structural Biology, volume 203, . [details] [pdf] [doi]
2017
[2] The influence of the solid to plasma phase transition on the generation of plasma instabilities (), In Nature Communications, volume 8, . [details] [pdf] [doi]
[1] Slip-Spring Model for the Linear and Nonlinear Viscoelastic Properties of Molten Polyethylene Derived from Atomistic Simulations (, and ), In Macromolecules, volume 50, . [details] [pdf] [doi]

2nd Production Call (28)

2018
[28] 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]
[27] Convective Excitation of Inertial Modes in Binary Neutron Star Mergers (, , , , , and ), In Phys. Rev. Lett., American Physical Society, volume 120, . [details] [pdf] [doi]
[26] 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
[25] Two-dimensional thio- and seleno-cyanates of Mo and W (, and ), In Journal of Physics: Condensed Matter, volume 29, . [details] [pdf] [doi]
[24] 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]
[23] 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]
[22] Neutron-star Radius Constraints from GW170817 and Future Detections (, , and ), In The Astrophysical Journal Letters, volume 850, . [details] [pdf] [doi]
[21] Molecular Simulations of Free and Graphite Capped Polyethylene Films: Estimation of the Interfacial Free Energies (, , , , , and ), In Macromolecules, volume 50, . [details] [pdf] [doi]
[20] 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]
[19] 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]
[18] Two-dimensional Mo(SCN) 2 : a novel MoS 2 -variant ( and ), In Journal of Physics: Condensed Matter, volume 29, . [details] [pdf] [doi]
[17] 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]
[16] Ab initio investigation of the AlN:Er system (, and ), In Computational Materials Science, volume 138, . [details] [pdf] [doi]
[15] 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]
[14] 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]
[13] Pragmatic analysis of the electric submerged arc furnace continuum (, , and ), In Royal Society Open Science, The Royal Society, volume 4, . [details] [pdf] [doi]
[12] 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]
[11] Two-dimensional metal-phosphorus monohydrides (), In FlatChem, volume 2, . [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]

1st Pilot Call (32)

2017
[32] Biomass burning aerosol transport and vertical distribution over the South African-Atlantic region (, , , , , , , , and ), In Journal of Geophysical Research: Atmospheres, volume 122, . [details] [pdf] [doi]
[31] Reverse micelles as antioxidant carriers: an experimental and molecular dynamics study (, , and ), In Langmuir, ACS Publications, . [details] [pdf] [doi]
[30] Computational investigation of fullerene-DNA interactions: Implications of fullerene’s size and functionalization on DNA structure and binding energetics (, , and ), In Journal of Molecular Graphics and Modelling, volume 74, . [details] [pdf] [doi]
[29] Unscrambling micro-solvation of -COOH and -NH groups in neat dimethyl sulfoxide: insights from 1H-NMR spectroscopy and computational studies (, , , , and ), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 19, . [details] [pdf] [doi]
[28] Exploring the interactions of irbesartan and irbesartan–2-hydroxypropyl-β-cyclodextrin complex with model membranes (, , , , , , , , , , , , , , , , , , and ), In Biochimica et Biophysica Acta (BBA) - Biomembranes, volume 1859, . [details] [pdf] [doi]
[27] Temperature Seasonal Predictability of the WRF Model (), Chapter in (Karacostas, Theodore, Bais, Alkiviadis, Nastos, Panagiotis T., eds.), Springer International Publishing, . [details] [pdf] [doi]
[26] 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]
[25] The Influence of WRF Parameterisation Schemes on High Resolution Simulations Over Greece (), Chapter in (Karacostas, Theodore, Bais, Alkiviadis, Nastos, Panagiotis T., eds.), Springer International Publishing, . [details] [pdf] [doi]
[24] Numerical Study of the Medicane of November 2014 (), Chapter in (Karacostas, Theodore, Bais, Alkiviadis, Nastos, Panagiotis T., eds.), Springer International Publishing, . [details] [pdf] [doi]
[23] The Role of Heat Extinction Depth Concept to Fire Behavior: An Application to WRF-SFIRE Model (), Chapter in (Karacostas, Theodore, Bais, Alkiviadis, Nastos, Panagiotis T., eds.), Springer International Publishing, . [details] [pdf] [doi]
[22] Magnetic nanoparticles coated with polyarabic acid demonstrate enhanced drug delivery and imaging properties for cancer theranostic applications (), In Scientific Reports, volume 7, . [details] [pdf] [doi]
[21] Detailed Molecular Dynamics Simulation of the Structure and Self-Diffusion of Linear and Cyclic n-Alkanes in Melt and Blends (, and ), In Macromolecular Theory and Simulations, volume 26, . [details] [pdf] [doi]
[20] Mechanism and crucial parameters on GaN nanocluster formation in a silica matrix (, , , and ), In Journal of Applied Physics, volume 121, . [details] [pdf] [doi]
[19] Complexation of Polyelectrolyte Micelles with Oppositely Charged Linear Chains (, , and ), In The Journal of Physical Chemistry B, volume 121, . [details] [pdf] [doi]
[18] AUTH Regional Climate Model Contributions to EURO-CORDEX (), Chapter in (Karacostas, Theodore, Bais, Alkiviadis, Nastos, Panagiotis T., eds.), Springer International Publishing, . [details] [pdf] [doi]
[17] The role of wind-forced coastal upwelling on the thermohaline functioning of the North Aegean Sea (, , , , , , and ), In Continental Shelf Research, . [details] [pdf] [doi]
2016
[16] Fractal and multifractal analysis of PET/CT images of metastatic melanoma before and after treatment with ipilimumab (), In EJNMMI Research, volume 6, . [details] [pdf] [doi]
[15] DIANA-LncBase v2: indexing microRNA targets on non-coding transcripts (, , , , , , , , , and ), In Nucleic Acids Research, volume 44, . [details] [pdf] [doi]
[14] DIANA-miRGen v3.0: accurate characterization of microRNA promoters and their regulators (, , , , , , , , , and ), In Nucleic Acids Research, volume 44, . [details] [pdf] [doi]
[13] Water adsorption behaviour of CAU-10-H: a thorough investigation of its structure-property relationships (, , , , , , , , , , and ), In J. Mater. Chem. A, The Royal Society of Chemistry, volume 4, . [details] [pdf] [doi]
[12] Monte carlo determination of correction factors for dosimetric measurements in gamma knife perfexion small fields (, , , , , and ), In Physica Medica, Elsevier, volume 32, . [details] [pdf] [doi]
[11] Molecular dynamics simulations and structure-based network analysis reveal structural and functional aspects of G-protein coupled receptor dimer interactions (), In Journal of Computer-Aided Molecular Design, volume 30, . [details] [pdf] [doi]
[10] A $\beta$-solenoid model of the Pmel17 repeat domain: insights to the formation of functional amyloid fibrils (), In Journal of Computer-Aided Molecular Design, volume 30, . [details] [pdf] [doi]
[9] Atomistic and Coarse-grained Simulations of Hexabenzocoronene Crystals (, and ), In Journal of Physics: Conference Series, volume 738, . [details] [pdf] [doi]
[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 (, and ), In Polymers, volume 8, . [details] [pdf] [doi]
[7] Analysis of Slow Modes in Ring Polymers: Threading of Rings Controls Long-Time Relaxation (, and ), In ACS Macro Letters, volume 5, . [details] [pdf] [doi]
[6] Novel Au- and Ge-based two-dimensional materials formed through topotactic transitions of AlB2-like structures (), In Nanoscale, The Royal Society of Chemistry, volume 8, . [details] [pdf] [doi]
[5] Functionalization of two-dimensional phthalo-carbonitride with metal atoms (), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 18, . [details] [pdf] [doi]
[4] Copper thiocyanate: polytypes, defects, impurities, and surfaces (), In Journal of Physics: Condensed Matter, volume 28, . [details] [pdf] [doi]
[3] Two-dimensional cyanates: stabilization through hydrogenation (), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 18, . [details] [pdf] [doi]
[2] Phthalo-carbonitride: an ab initio prediction of a stable two-dimensional material (), In 2D Materials, volume 3, . [details] [pdf] [doi]
[1] Two-dimensional copper thio- and seleno-cyanates (), In Phys. Chem. Chem. Phys., The Royal Society of Chemistry, volume 18, . [details] [pdf] [doi]

Preparatory Calls (7)

2018
[7] Calculating Operational Patterns for Electric Vehicle Charging on a Real Distribution Network Based on Renewables’ Production (, , and ), In Energies, volume 11, . [details] [pdf] [doi]
2017
[6] Nesterov-based Alternating Optimization for Nonnegative Tensor Factorization: Algorithm and Parallel Implementation (, , , and ), In IEEE Transactions on Signal Processing, volume PP, . [details] [pdf] [doi]
[5] Aitken's method for estimating bilinear forms arising in applications (), In Calcolo, volume 54, . [details] [pdf] [doi]
[4] A repository of Unix history and evolution (), In Empirical Software Engineering, volume 22, . [details] [pdf] [doi]
2016
[3] Bona-fide method for the determination of short range order and transport properties in a ferro-aluminosilicate slag (), In , The Author(s) SN -, volume 6, . [details] [pdf] [doi]
[2] Computing the flow past Vortex Generators: Comparison between RANS Simulations and Experiments (, , , , and ), In Journal of Physics: Conference Series, volume 753, . [details] [pdf] [doi]
[1] Transient flow of gravity-driven viscous films over substrates with rectangular topographical features (), In Microfluidics and Nanofluidics, volume 20, . [details] [pdf] [doi]