Publications - Call: Pr008
2024
[51] Free energy landscape of the PI3Kα C-terminal activation (, , and ), In Computational and Structural Biotechnology Journal, volume 23, . [bibtex] [url] [doi]
[50] Application of an Empirical Model to Improve Maximum Value Predictions in CFD-RANS: Insights from Four Scientific Domains (), In Atmosphere, volume 15, . [bibtex] [url]
2022
[49] Forecasting Soil Erosion and Sediment Yields During Flash Floods: The Disastrous Case of Mandra, Greece, 2017 (), In Earth Surface Processes and Landforms, . [bibtex] [url] [doi]
[48] Identification of hydrated phases in ALPO4-5, and explanation of their effect on the water sorption and dynamics (), In Microporous and Mesoporous Materials, volume 329, . [bibtex] [url] [doi]
[47] Effects of the structure of lipid-based agents in their complexation with a single stranded mRNA fragment: a computational study (), In Soft Matter, The Royal Society of Chemistry, . [bibtex] [url] [doi]
[46] Predicting protein–membrane interfaces of peripheral membrane proteins using ensemble machine learning (), In Briefings in Bioinformatics, . [bibtex] [url] [doi]
[45] DREAMM: a web-based server for drugging protein-membrane interfaces as a novel workflow for targeted drug design ( and ), In Bioinformatics, volume 38, . [bibtex] [url] [doi]
[44] Preliminary assessment of soil erosion and sediment yield during a catastrophic flash flood event (), In 7th Europe Congress of the International Association for Hydro-environment Engineering and Research (IAHR) (Anastasios I. Stamou, Vassilios Tsihrintzis, ed.), . [bibtex] [pdf]
2021
[43] NanoMaterialsCAD: Flexible Software for the Design of Nanostructures (), In Advanced Theory and Simulations, . [bibtex] [url] [doi]
[42] 18.4 % Organic Solar Cells Using a High Ionization Energy Self-Assembled Monolayer as Hole-Extraction Interlayer (), In ChemSusChem, volume 14, . [bibtex] [url] [doi]
[41] Investigating sea-state effects on flash flood hydrograph and inundation forecasting (), In Hydrological Processes, volume 35, . [bibtex] [url] [doi]
[40] Molecular dynamics simulations of stretch-induced crystallization in layered polyethylene (), In Polym. Crystallization, volume 4, . [bibtex] [url] [doi]
[39] Flow Past an Oscillating Cylinder: Effects of Oscillation Mode on Wake Structure (, , and ), In Advances in Critical Flow Dynamics Involving Moving/Deformable Structures with Design Applications (Braza, Marianna, Hourigan, Kerry, Triantafyllou, Michael, eds.), Springer International Publishing, . [bibtex] [url] [doi]
[38] Investigation of Cylindrical Waveguides with Periodic Wedge-Shaped Azimuthal Corrugations Excited by TE Modes Using the FDTD Method (), In Journal of Infrared, Millimeter, and Terahertz Waves, volume 42, . [bibtex] [url] [doi]
[37] Ab Initio Study of the Electron–Phonon Coupling in Ultrathin Al Layers (), In J Low Temp Phys, . [bibtex] [url] [doi]
[36] Linear harmonic oscillatory rarefied gas flow with arbitrary frequency in comb finger blocks (), In Sensors and Actuators A: Physical, volume 331, . [bibtex] [url] [doi]
[35] Impact of Oxygen on the Properties of Cu3N and Cu3–xN1–xOx (), In J. Phys. Chem. C, . [bibtex] [url] [doi]
[34] Dynamics and Rheology of Polymer Melts via Hierarchical Atomistic, Coarse-Grained, and Slip-Spring Simulations (, , , , , , , , , , and ), In Macromolecules, volume 54, . [bibtex] [url] [doi]
[33] Molecular simulations of dopamine in a lipid bilayer (), In AIP Conference Proceedings, volume 2343, . [bibtex] [url] [doi]
[32] Mesoscopic simulations of star polyethylene melts at equilibrium and under steady shear flow (, , and ), In AIP Conference Proceedings, volume 2343, . [bibtex] [url] [doi]
[31] Coarse-grained simulations of bidisperse polymer melts (), In AIP Conference Proceedings, volume 2343, . [bibtex] [url] [doi]
[30] Molecular Dynamics Simulations of Polyethylene Bilayers (), In Journal of Physics: Conference Series, volume 1730, . [bibtex] [url] [doi]
[29] Molecular simulation of the morphology and viscosity of aqueous micellar solutions of sodium lauryl ether sulfate (SLEnS) (, , and ), In JPhys Materials, volume 4, . [bibtex] [url] [doi]
[28] Oscillatory pressure-driven rarefied binary gas mixture flow between parallel plates (, and ), In Phys. Rev. E, volume 103, . [bibtex] [url] [doi]
[27] Engineering nitrogen- and hydrogen-related defects in ZnO nanowires using thermal annealing (), In Phys. Rev. Materials, volume 5, . [bibtex] [url] [doi]
[26] From flakes to ribbons: The barrier factor of composites containing flakes of rectangular shape (, , and ), In Journal of Composite Materials, SAGE Publications Sage UK: London, England, volume 0, . [bibtex] [url] [doi]
[25] Standardization and Validation of Brachytherapy Seeds’ Modelling Using GATE and GGEMS Monte Carlo Toolkits (, , , , , , and ), In Cancers, volume 13, . [bibtex] [url] [doi]
[24] Computational Study of Three-Dimensional Flow Past an Oscillating Cylinder Following a Figure Eight Trajectory (, , and ), In Fluids, volume 6, . [bibtex] [url] [doi]
[23] Development of an Algorithm for Prediction of the Wind Speed in Renewable Energy Environments (), In Fluids, volume 6, . [bibtex] [url] [doi]
[22] Oil spill model uncertainty quantification using an atmospheric ensemble (), In Ocean Science, volume 17, . [bibtex] [url] [doi]
2020
[21] A Coupled Artificial Compressibility Method for Free Surface Flows (), In Journal of Marine Science and Engineering, volume 8, . [bibtex] [url] [doi]
[20] A Multilayered Electron Extracting System for Efficient Perovskite Solar Cells (), In Advanced Functional Materials, volume 30, . [bibtex] [url] [doi]
[19] Towards high-performance electrochemical thermal energy harvester based on ferrofluids (), In Applied Materials Today, volume 19, . [bibtex] [url] [doi]
[18] Dissolved oxygen variability in the Mediterranean Sea (), In J. Mar. Syst., volume 115, . [bibtex] [url] [doi]
[17] 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]
[16] Hole Transfer in Cumulenic and Polyynic Carbynes (), In The Journal of Physical Chemistry, volume 124, . [bibtex] [url] [doi]
[15] 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]
[14] 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]
[13] 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]
[12] Conformational and Dynamic Properties of Short DNA Minicircles in Aqueous Solution from Atomistic Molecular Dynamics Simulations (), In Macromolecules, volume 53, . [bibtex] [url] [doi]
[11] Decorated Dislocations against Phonon Propagation for Thermal Management (), In ACS Applied Energy Materials, volume 3, . [bibtex] [url] [doi]
[10] 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]
[9] Complexation of single stranded RNA with an ionizable lipid: an all-atom molecular dynamics simulation study (), In Soft Matter, volume 16, . [bibtex] [url] [doi]
[8] Dynamical heterogeneities in non-entangled polystyrene and poly(ethylene oxide) star melts (, , and ), In Physics of Fluids, volume 32, . [bibtex] [url] [doi]
[7] 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]
[6] 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]
[5] Hole transfer in open carbynes (), In Materials, volume 13, . [bibtex] [url] [doi]
[4] Dynamic Heterogeneity in Ring-Linear Polymer Blends (), In Polymers, volume 12, . [bibtex] [url] [doi]
[3] Implementation of a Nowcasting Hydrometeorological System for Studying Flash Flood Events: The Case of Mandra, Greece (), In Remote Sensing, volume 12, . [bibtex] [url] [doi]
[2] 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]
2019
[1] Effect of albumin mediated clustering on the magnetic behavior of MnFe2O4 nanoparticles: experimental and theoretical modeling study (), In Nanotechnology, volume 31, . [bibtex] [url] [doi]