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Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 197 for “"Computational Modelling"”.
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Computational Modelling of Jazz Improvisation
… and other similar datasets using a variety of computational methods. First, we describe the construction of the Jazz Trio Database (JTD). This is an open source dataset of 45 hours of jazz rhythm section performances with symbolic annotations, comprising both quarter-note downbeats and beats, …
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Computational modelling of hydrogel therapies
… aims to answer the hypothesis by developing a computational framework that investigates the flow behavior of PEG present in rat myocardium as it undergoes gelation. A methodology is presented for characterizing the gelation of PEG from existing rheology data. A material model is developed for …
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Computational modelling of the glycinergic synapse
… of glycine regulation in the human CNS, computational modelling of the various aspects of the glycinergic synapse were deployed. A metabolic model of the CNS was constructed with the use of publicly available databases as a derivation of a generic model of human metabolism, Recon2.2. The …
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Computational modelling of vortex shedding flows
… as a compromise between the accuracy and computational costs, especially for high-Reynolds number flows. The latter are modelled by variants of the k - E eddy-viscosity model which is used in conjunction with wall functions. The governing equations, expressed through Cartesian vector and …
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Computational modelling of polymer network formation
There exists a number of methods for the computational simulation of polymerisation processes. This thesis provides an overview of these methods, and establishes a connection between them on a theoretical level, based on the First Shell Substitution Effect (FSSE) model of polymerisation. The FSSE …
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Computational Modelling of Biosensors of Complex Geometry /
Biosensors are analytical devices mainly used to detect analytes and measure their concentrations. Mathematical modeling is widely used for optimizing and analyzing an operation of biosensors for reducing price of development of new biosensors. The object of this research is mathematical and …
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Computational Modelling of Radiosensitising Properties of Nanoparticles
… of important parameters of coated NPs using computational and theoretical methods which may be applied to any coated NP system. The detailed structure of poly(ethylene glycol) (PEG)-coated gold nanoparticles (AuNPs) was studied using atomistic classical molecular dynamics simulations. By …
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Multifaceted computational modelling in pharmaceutical research and development
… developed workflows comprised of a hybrid use of computational and experimental approaches. This thesis was focused on employing state-of-the-art molecular modelling methods in three significant areas of pharmaceutical research and development. This thesis comprises an introductory part (chapter …
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Computational Modelling and Optimization of Dry Powder Inhalers
… (A) and (B). An Eulerian-Eulerian (EE) computational fluid dynamics (CFD) approach has then been used to optimize a DPI entrainment geometry. Three different optimized entrainment geometries have been found corresponding to three different therapeutic applications. Second, the CFD …
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Computational modelling of cardiac function and myocardial infarction
… for future cardiac failure due to adverse remodelling and electrophysiological dysfunction. Computational modelling of the electrophysiology and mechanics of the heart can provide useful insights into the causes of cardiac failure and the efficacy of treatments designed to combat myocardial …
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Computational Modelling of Nanoscale Interactions for Nanophotonics and Biosensing
… the biosensor signals using advanced multi-scale computational methods in photonics and molecular modelling. In the first section, we investigate biosensor signals from the catalytic cycle of Adenylate Kinase (AdK); a large protein with more than 3000 atoms. We assume that the AdK molecule is …
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Characterization and computational modelling of acrylic bone cement polymerisation
… new prostheses with improved clinical results. Computational modelling of biological systems is becoming increasingly accurate and is a much quicker and cheaper alternative to physical testing, but continued development is necessary to ensure computational models produce accurate and reliable …
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COMPUTATIONAL MODELLING OF PROTEIN FIBRILLATION WITH APPLICATION TO GLUCAGON
A computational method to model the steric zipper of amyloid fibrils (FibPreditor) is developed. The method generates an ensemble of structures for the steric zipper by a number of geometric operations and presents the most energetically favorable candidates as models of steric zipper. The method …
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Mathematical and Computational modelling of soft and active matter
… the developments in supercomputers and general computational power along with highly refined mathematical theories and equations have enabled the collective motion of particles to be investigated in a logical and systematic manner. Hence, this study is focused mathematical principles are …
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Evaluation of predictive computational modelling in biologic formulation development
Computational modelling has completely redefined the experimentation process in many industries, allowing large sets of design concepts to be tested quickly and cheaply very early in the innovation process. Harnessing the power of computational modelling for protein drug formulation has numerous, …
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Computational modelling of the vortex state in high-temperature superconductors
The vortex state in high temperature superconductors is investigated using computer simulations. Vortices are represented as particles and we employ Langevin dynamics to study the statics and dynamics of the system.<br/><br/>We show that the long-range nature of the vortex-vortex interaction can …
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Computational modelling of interfacial failure behaviours in polymer–metal joints
… in polymer–metal/metal oxide joints using computational techniques such as density functional theory (DFT), molecular dynamics (MD), and dissipative particle dynamics (DPD) methods. Our calculations provide support to a valuable design principle that increasing polymer stiffness can improve …
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Pulsatile Flow in Computational Modelling of Thrombosis in Cerebral Aneurysms
… have developed one of a growing number of computational models of thrombosis of cerebral aneurysms designed with consideration towards clinical use and research. Their model, amongst many others, utilizes computationally inexpensive steady flow conditions. However, pulsatile flow better …
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Computational Modelling and Experimental Verifcation of Quasioptical Components at Millimetre Wavelengths
… radiation. The results presented relate to both computational simulation and experimental measurements carried out at NUI Maynooth. The majority of the analysis is centred around a frequency of 100 GHz, or a corresponding wavelength of 3 mm. Experimental measurements were performed on diffractive …
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