Search Results - "Angelikopoulos, Panagiotis"

Kapitza Resistance between Few-Layer Graphene and Water: Liquid Layering Effects by Alexeev, Dmitry, Chen, Jie, Walther, Jens H, Giapis, Konstantinos P, Angelikopoulos, Panagiotis, Koumoutsakos, Petros

“…The Kapitza resistance (R K) between few-layer graphene (FLG) and water was studied using molecular dynamics simulations. The R K was found to depend on the…”
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Membrane partitioning of anionic, ligand-coated nanoparticles is accompanied by ligand snorkeling, local disordering, and cholesterol depletion by Gkeka, Paraskevi, Angelikopoulos, Panagiotis, Sarkisov, Lev, Cournia, Zoe

“…Intracellular uptake of nanoparticles (NPs) may induce phase transitions, restructuring, stretching, or even complete disruption of the cell membrane…”
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Homogeneous Hydrophobic–Hydrophilic Surface Patterns Enhance Permeation of Nanoparticles through Lipid Membranes by Gkeka, Paraskevi, Sarkisov, Lev, Angelikopoulos, Panagiotis

“…We employ coarse-grained molecular dynamics simulations to understand why certain interaction patterns on the surface of a nanoparticle promote its…”
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Directed Self-Assembly of Surfactants in Carbon Nanotube Materials by Angelikopoulos, Panagiotis, Bock, Henry

“…The self-assembly of surfactant molecules on crossing carbon nanotubes has been investigated using a bead-spring model and implicit solvent dissipative…”
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Dispersing Individual Single-Wall Carbon Nanotubes in Aqueous Surfactant Solutions below the cmc by Angelikopoulos, Panagiotis, Gromov, Andrei, Leen, Ailsa, Nerushev, Oleg, Bock, Henry, Campbell, Eleanor E. B

“…Dispersions of single-wall carbon nanotubes (SWCNTs) in surfactant solutions below the critical micelle concentration (cmc) have been studied theoretically and…”
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Bayesian uncertainty quantification and propagation in molecular dynamics simulations: a high performance computing framework by Angelikopoulos, Panagiotis, Papadimitriou, Costas, Koumoutsakos, Petros

“…We present a Bayesian probabilistic framework for quantifying and propagating the uncertainties in the parameters of force fields employed in molecular…”
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Optimal structural arrangements of multilayer helical assemblies by Karathanasopoulos, Nikolaos, Angelikopoulos, Panagiotis

“…We report a quantitative framework to guide the braiding pattern design of multilayer helical assemblies. We optimize the structural pattern so as to maximize…”
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X-TMCMC: Adaptive kriging for Bayesian inverse modeling by Angelikopoulos, Panagiotis, Papadimitriou, Costas, Koumoutsakos, Petros

“…The Bayesian inference of models associated with large-scale simulations is prohibitively expensive even for massively parallel architectures. We demonstrate…”
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Data Driven, Predictive Molecular Dynamics for Nanoscale Flow Simulations under Uncertainty by Angelikopoulos, Panagiotis, Papadimitriou, Costas, Koumoutsakos, Petros

“…For over five decades, molecular dynamics (MD) simulations have helped to elucidate critical mechanisms in a broad range of physiological systems and…”
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Personalized Radiotherapy Design for Glioblastoma: Integrating Mathematical Tumor Models, Multimodal Scans, and Bayesian Inference by Lipkova, Jana, Angelikopoulos, Panagiotis, Wu, Stephen, Alberts, Esther, Wiestler, Benedikt, Diehl, Christian, Preibisch, Christine, Pyka, Thomas, Combs, Stephanie E., Hadjidoukas, Panagiotis, Van Leemput, Koen, Koumoutsakos, Petros, Lowengrub, John, Menze, Bjoern

“…Glioblastoma (GBM) is a highly invasive brain tumor, whose cells infiltrate surrounding normal brain tissue beyond the lesion outlines visible in the current…”
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The Differences in Surfactant Adsorption on Carbon Nanotubes and Their Bundles by Angelikopoulos, Panagiotis, Bock, Henry

“…Dissipative particle dynamics simulations of a mesoscale model are performed to investigate the concentration dependence of surfactant adsorption on…”
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The Nanoscale Cinderella Problem: Design of Surfactant Coatings for Carbon Nanotubes by Angelikopoulos, Panagiotis, Bock, Henry

“…We report the design rules for amphiphilic coatings of single-wall carbon nanotubes (SWCNTs) to achieve optimal dispersion. Their knowledge and understanding…”
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Data driven inference for the repulsive exponent of the Lennard-Jones potential in molecular dynamics simulations by Kulakova, Lina, Arampatzis, Georgios, Angelikopoulos, Panagiotis, Hadjidoukas, Panagiotis, Papadimitriou, Costas, Koumoutsakos, Petros

“…The Lennard-Jones (LJ) potential is a cornerstone of Molecular Dynamics (MD) simulations and among the most widely used computational kernels in science. The…”
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Study of Nanoparticle-Lipid Bilayer Interactions: Insights from Coarse-Grained Molecular Dynamics Simulations by Gkeka, Paraskevi, Angelikopoulos, Panagiotis, Cournia, Zoe

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Surfactant-Induced Forces between Carbon Nanotubes by Angelikopoulos, Panagiotis, Schou, Keith, Bock, Henry

“…Dissipative particle dynamics simulations are employed to study surfactant-mediated forces between a pair of perpendicular carbon nanotubes (CNTs) coated by…”
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Directed Self-Assembly of Surfactants in Carbon Nanotube Materials by Angelikopoulos, Panagiotis, Bock, Henry

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Angular Dependence of Surfactant-Mediated Forces Between Carbon Nanotubes by Müter, Dirk, Angelikopoulos, Panagiotis, Bock, Henry

“…We employ dissipative particle dynamics to examine surfactant-mediated forces between two carbon nanotubes. Calculations are performed varying both the…”
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Membrane Partitioning of Anionic, Ligand-Coated Nanoparticles Is Accompanied by Ligand Snorkeling, Local Disordering, and Cholesterol Depletion: e1003917 by Gkeka, Paraskevi, Angelikopoulos, Panagiotis, Sarkisov, Lev, Cournia, Zoe

“…Intracellular uptake of nanoparticles (NPs) may induce phase transitions, restructuring, stretching, or even complete disruption of the cell membrane…”
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Structural Forces from Directed Self-Assembly by Angelikopoulos, Panagiotis, Al Harthy, Saud, Bock, Henry

“…We investigate a candidate structure for the bottom-up design of nanocomposite materials. At a pair of crossing carbon nanotubes, surfactants self-assemble…”
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Placental plasticity in monochorionic twins: Impact on birth weight and placental weight by Baumann, Marc U, Marti, Michelle, Durrer, Lukas, Koumoutsakos, Petros, Angelikopoulos, Panagiotis, Bolla, Daniele, Acharya, Ganesh, Bichsel, Ursina, Surbek, Daniel V, Raio, Luigi

“…Abstract Introduction The knowledge about adaptive mechanisms of monochorionic placentas to fulfill the demands of two instead of one fetus is largely…”
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