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Relevant bibliographies by topics / Statistical simulations / Dissertations / Theses

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Dissertations / Theses on the topic 'Statistical simulations'

Author: Grafiati

Published: 4 June 2025

Last updated: 1 August 2025

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1

Atkinson, Richard Alan. "Statistical analysis of molecular dynamic simulations." Thesis, University of Oxford, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.305971.

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2

Herd, Benjamin. "Statistical runtime verification of agent-based simulations." Thesis, King's College London (University of London), 2015. http://kclpure.kcl.ac.uk/portal/en/theses/statistical-runtime-verification-of-agentbased-simulations(ae71609a-c4a5-4bde-a000-3fe4e6b9759d).html.

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As a consequence of the growing adoption of agent-based simulations as decision making tools in various (potentially also critical) areas, questions of veracity and validity become increasingly important. In general software and hardware development, formal verification – particularly model checking – has been applied successfully to a wide range of problems; due to their immense complexity, however, agent-based simulations lend themselves to conventional formal verification only in very simple cases and at a disproportionately high cost. The purpose of this work is to address this problem and

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3

Kamsani, Noor 'Ain. "Statistical circuit simulations - from ‘atomistic’ compact models to statistical standard cell characterisation." Thesis, University of Glasgow, 2011. http://theses.gla.ac.uk/2720/.

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This thesis describes the development and application of statistical circuit simulation methodologies to analyse digital circuits subject to intrinsic parameter fluctuations. The specific nature of intrinsic parameter fluctuations are discussed, and we explain the crucial importance to the semiconductor industry of developing design tools which accurately account for their effects. Current work in the area is reviewed, and three important factors are made clear: any statistical circuit simulation methodology must be based on physically correct, predictive models of device variability; the stat

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4

VanderNoot, Theodore John Carleton University Dissertation Chemistry. "Two dimensional electrocrystallization; simulations, statistical analysis and anodic monolayer formation." Ottawa, 1985.

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5

McMillan, David G. "Statistical analyses of geomagnetic dipole variations, reversals and geodynamo simulations /." Diss., Connect to a 24 p. preview or request complete full text in PDF format. Access restricted to UC campuses, 2003. http://wwwlib.umi.com/cr/ucsd/fullcit?p3090447.

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6

Amir-Azizi, Siamak. "Linear filtering algorithms for Monte Carlo simulations." Thesis, University of Southampton, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.280859.

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7

Galassi, Giulio Roberto. "Monte Carlo simulations of diatomics, polymers and alkanes." Thesis, University of Southampton, 1993. https://eprints.soton.ac.uk/421719/.

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8

Trefz, Benjamin [Verfasser]. "Computer simulations of the statistical behaviour of active particles / Benjamin Trefz." Mainz : Universitätsbibliothek Mainz, 2016. http://d-nb.info/1119480183/34.

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9

Rodgers, Jocelyn Michelle. "Statistical mechanical theory for and simulations of charged fluids and water." College Park, Md.: University of Maryland, 2008. http://hdl.handle.net/1903/8561.

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Thesis (Ph. D.) -- University of Maryland, College Park, 2008.<br>Thesis research directed by: Chemical Physics Program. Title from t.p. of PDF. Includes bibliographical references. Published by UMI Dissertation Services, Ann Arbor, Mich. Also available in paper.

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10

Savino, Mary Edith. "Statistical learning methods for nonlinear geochemical problems." Electronic Thesis or Diss., université Paris-Saclay, 2024. http://www.theses.fr/2024UPASM032.

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Dans le cadre de simulations numériques de systèmes géochimiques s'intégrant dans un projet de stockage profond de déchets hautement radioactifs, nous proposons dans cette thèse deux méthodes d'estimation de fonction ainsi qu'une méthode de sélection de variables dans un modèle de régression non-paramétrique multivarié.Plus précisément, dans le Chapitre 2, nous présentons une procédure d'apprentissage actif utilisant les processus Gaussiens pour approcher des fonctions inconnues ayant plusieurs variables d'entrée. Cette méthode permet à chaque itération le calcul de l'incertitude globale sur l

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11

Blok, Hendrik J. "On the nature of the stock market : simulations and experiments." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 2000. http://www.collectionscanada.ca/obj/s4/f2/dsk2/ftp03/NQ56507.pdf.

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12

Mariani, Riccardo. "Irreversible parallel dynamics in statistical mechanics." Thesis, Aix-Marseille, 2018. http://www.theses.fr/2018AIXM0744/document.

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Nous présentons des approches théoriques et numériques pour deux dynamiques irréversibles et parallèles sur des modèles de mécanique statistique. Dans le premier chapitre, nous présentons les résultats théoriques sur un système de particules induite par une chaîne de Markov irréversible, à savoir le TASEP. Permettant des multiples retournements de spin \`à chaque itération, nous définissons un modèle avec une dynamique parallèle appartenant à la famille des PCA et nous dérivons sa mesure stationnaire. Dans ce cadre, nous traitons {\it le problème du blocage}, {\it i.e.} comprendre les effets d

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13

Baró, i. Urbea Jordi. "Avalanches in Out of Equilibrium Systems: Statistical Analysis of Experiments and Simulations." Doctoral thesis, Universitat de Barcelona, 2015. http://hdl.handle.net/10803/301273.

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Instead of a linear and smooth evolution, many physical system react to external stimuli in avalanche dynamics. When an out of equilibrium system governed by disorder is externally driven the evolution of internal variables is local and non-homogeneous. This process is a collective behaviour adiabatically quick known as avalanches. Avalanche dynamics are associated to the transformation of spatial domains in different scales: from microscopic, to large catastrophic events such as earthquakes or solar flares. Avalanche dynamics is also involved in interdisiplinar topics such as the return pri

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14

Francois, Bastien. "Multivariate statistical approaches for bias adjustment of climate simulations and compound events analysis." Electronic Thesis or Diss., université Paris-Saclay, 2022. http://www.theses.fr/2022UPASJ018.

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Le climat est un système complexe qui est le résultat de multiples interactions entre ses différentes composantes et ses multiples variables. Cette thèse a pour but d'évaluer si et comment l'utilisation d'approches statistiques multivariées pour l'étude des simulations climatiques peut contribuer à une compréhension plus approfondie du changement climatique et des événements climatiques à forts impacts sur la société. Pour répondre à ces questions, je propose et applique de nouveaux outils statistiques multivariés pour, d'une part, la correction de biais des simulations climatiques, et d'autre

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15

Monette, Liza. "Numerical simulations of nucleation and growth phenomena." Thesis, McGill University, 1987. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=64053.

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16

Ilić, Milica. "Statistical analysis of liquid phase turbulence based on direct numerical simulations of bubbly flows." Karlsruhe : FZKA, 2006. http://nbn-resolving.de/urn:nbn:de:0005-071995.

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17

Ninarello, Andrea Saverio. "Computer simulations of supercooled liquids near the experimental glass transition." Thesis, Montpellier, 2017. http://www.theses.fr/2017MONTS071/document.

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La compréhension du mécanisme de la formation du verre est l'un des importants problèmes ouverts en recherche sur la matière condensée. De nombreuses questions restent sans réponse, en raison d'une énorme augmentation des temps de relaxation pendant le processus de refroidissement qui ne permet pas l'exploration des propriétés d'équilibre des liquides surfondus à très basses températures. Les simulations numériques des liquides surfondus sont actuellement en mesure d'atteindre l'équilibre à des températures comparables à la température du crossover de la théorie de couplages de modes, qui est

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18

Vallgren, Andreas. "Statistical characteristics of two-dimensional and quasigeostrophic turbulence." Licentiate thesis, KTH, Linné Flow Center, FLOW, 2010. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-13128.

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<p>Two codes have been developed and implemented for use on massively parallelsuper computers to simulate two-dimensional and quasigeostrophic turbulence.The codes have been found to scale well with increasing resolution and width ofthe simulations. This has allowed for the highest resolution simulations of two-dimensional and quasigeostrophic turbulence so far reported in the literature.The direct numerical simulations have focused on the statistical characteristicsof turbulent cascades of energy and enstrophy, the role of coherent vorticesand departures from universal scaling laws, theoretiz

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19

Lemoy, Rémi. "The City as a Complex System. Statistical Physics and Agent-Based Simulations on Urban Models." Phd thesis, Université Lumière - Lyon II, 2011. http://tel.archives-ouvertes.fr/tel-00634588.

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Social and natural sciences share an interest for collective phenomena, which constitute an important part of the domain of complex systems. This thesis focuses on the study of urban systems, using analytical tools inspired by statistical physics, and also simulations, in particular agent-based models. A first analytical resolution of a Schelling spatial segregation model is presented, using a statistical physics framework linking individual and collective dynamics. This framework shows that utility or welfare in socio-economic models corresponds to a chemical potential in physics, a correspon

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20

Roswintiarti, Orbita. "Statistical Analysis and Numerical Simulations of the Intertropoical Convergence Zone during Normal and ENSO Years." NCSU, 1999. http://www.lib.ncsu.edu/theses/available/etd-19990919-040718.

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<p>The purpose of the research has been to provide a better understanding of the climatology, variability, mechanisms, physical processes, and predictability of the Intertropical Convergence Zone (ITCZ), one of the most prominent and important features of the tropical atmosphere. The effort is focused on six different tasks based on statistical and numerical methods. Analysis of the mean and meridional profile of the global ITCZ suggests that each tropical ocean domain has different structure and latitude preference of convection due to different interactions between the oceans and the atmosph

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21

Numata, Jorge [Verfasser]. "Conformational entropy from molecular simulations : statistical mechanics using the tools of information theory / Jorge Numata." Berlin : Freie Universität Berlin, 2012. http://d-nb.info/1027151612/34.

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22

Konstandin, Lukas [Verfasser], and Ralf [Akademischer Betreuer] Klessen. "Understanding the statistical properties of supersonic turbulence in hydrodynamical simulations / Lukas Konstandin ; Betreuer: Ralf Klessen." Heidelberg : Universitätsbibliothek Heidelberg, 2014. http://d-nb.info/1180300122/34.

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23

Lemoy, Rémi. "The City as a Complex System : Statistical Physics and Agent-Based Simulations on Urban Models." Thesis, Lyon 2, 2011. http://www.theses.fr/2011LYO22029/document.

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Les sciences "dures" et les sciences humaines ont un intérêt commun pour les phénomènes collectifs, qui sont également un sujet de recherche important dans le domaine des systèmes complexes. Cette thèse se focalise sur l’étude des systèmes urbains, en utilisant des outils analytiques venant de la physique statistique, et des simulations, en particulier la modélisation multi-agents. Une première résolution analytique d’un modèle de ségrégation spatiale de Schelling est obtenue à l’aide d’un formalisme de physique statistique qui relie la dynamique individuelle et collective. Ce formalisme montr

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24

Lee, Sungjoo. "Pricing Path-Dependent Derivative Securities Using Monte Carlo Simulation and Intra-Market Statistical Trading Model." Diss., Georgia Institute of Technology, 2004. http://hdl.handle.net/1853/4914.

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This thesis is composed of two parts. The first parts deals with a technique for pricing American-style contingent options. The second part details a statistical arbitrage model using statistical process control approaches. We propose a novel simulation approach for pricing American-style contingent claims. We develop an adaptive policy search algorithm for obtaining the optimal policy in exercising an American-style option. The option price is first obtained by estimating the optimal option exercising policy and then evaluating the option with the estimated policy through simulation. Both hi

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25

MANCA, FABIO. "The elastic behavior of polymer chains: theory and simulations." Doctoral thesis, Università degli Studi di Cagliari, 2013. http://hdl.handle.net/11584/266126.

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This thesis provides a picture on the thermo-elastic behavior of polymer molecules with biological relevance. In particular, this essay deals with the thermo-elasticity of single polymer molecules subjected to uniform stretching (generated by an applied force) or non-uniform stretching (generated by an external field). Analytical expressions and molecular dynamics simulations are elaborated considering some generalizations of the freely-jointed chain (FJC) and the worm-like chain (WLC) models. The analytical theory, based on classical statistical mechanics, allows a rigorous mathematical trea

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26

Donzis, Diego Aaron. "Scaling of turbulence and turbulent mixing using Terascale numerical simulations." Diss., Georgia Institute of Technology, 2007. http://hdl.handle.net/1853/19794.

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Fundamental aspects of turbulence and turbulent mixing are investigated using direct numerical simulations (DNS) of stationary isotropic turbulence, with Taylor-scale Reynolds numbers ranging from 8 to 650 and Schmidt numbers from 1/8 to 1024. The primary emphasis is on important scaling issues that arise in the study of intermittency, mixing and turbulence under solid-body rotation. Simulations up to 2048^3 in size have been performed using large resource allocations on Terascale computers at leading supercomputing centers. Substantial efforts in algorithmic development have also been unde

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27

Richards, Andrew Perry. "Coal Pyrolysis Models for Use in Massively Parallel Oxyfuel-Fired Boiler Simulations." BYU ScholarsArchive, 2021. https://scholarsarchive.byu.edu/etd/8926.

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Accurately modeling key aspects of coal combustion allows for the virtual testing and application of new technologies and processes without the need for investments in lab- and pilot-scale facilities, since such facilities may only be used for a few small tests. However, modeling of subprocesses must not only be accurate but computationally efficient. Modeling of coal devolatilization reactions and processes are one of the important parts of large-scale simulations of coal combustion systems. The work presented here details efforts to improve the modeling of coal devolatilization processes in

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28

CROPPER, JOHN PHILIP. "TREE-RING RESPONSE FUNCTIONS. AN EVALUATION BY MEANS OF SIMULATIONS (DENDROCHRONOLOGY RIDGE REGRESSION, MULTICOLLINEARITY)." Diss., The University of Arizona, 1985. http://hdl.handle.net/10150/187946.

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The problem of determining the response of tree ring width growth to monthly climate is examined in this study. The objective is to document which of the available regression methods are best suited to deciphering the complex link between tree growth variation and climate. Tree-ring response function analysis is used to determine which instrumental climatic variables are best associated with tree-ring width variability. Ideally such a determination would be accomplished, or verified, through detailed physiological monitoring of trees in their natural environment. A statistical approach is requ

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29

Gathmann, F. Oliver. "Insect community patterns in space, statistical tools, simulations, and empirical data from southern Ontario coldwater springs." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 2000. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape2/PQDD_0019/NQ56700.pdf.

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30

Henry, Legena Albertha. "A study of ocean wave statistical properties using nonlinear, directional, phase-resolved ocean wave-field simulations." Thesis, Massachusetts Institute of Technology, 2009. http://hdl.handle.net/1912/3230.

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Thesis (S.M.)--Joint Program in Oceanography/Applied Ocean Science and Engineering (Massachusetts Institute of Technology, Dept. of Mechanical Engineering; and the Woods Hole Oceanographic Institution), February 2010.<br>Cataloged from PDF version of thesis.<br>Includes bibliographical references (p. 327-334).<br>In the present work, we study the statistics of wavefields obtained from non-linear phase-resolved simulations. The numerical model used to generate the waves models wave-wave interactions based on the fully non-linear Zakharov equations. We vary the simulated wavefield's input spectr

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31

Wiberg, Marie H. "Computerized achievement tests : sequential and fixed length tests." Doctoral thesis, Umeå universitet, Statistiska institutionen, 2003. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-148.

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The aim of this dissertation is to describe how a computerized achivement test can be constructed and used in practice. Throughout this dissertation the focus is on classifying the examinees into masters and non-masters depending on their ability. However, there has been no attempt to estimate their ability. In paper I, a criterion-referenced computerized test with a fixed number of items is expressed as a statistical inference problem. The theory of optimal design is used to find the test that has the strongest power. A formal proof is provided showing that all items should have the same item

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32

Kamal, Tariq. "Computational Cost Analysis of Large-Scale Agent-Based Epidemic Simulations." Diss., Virginia Tech, 2016. http://hdl.handle.net/10919/82507.

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Agent-based epidemic simulation (ABES) is a powerful and realistic approach for studying the impacts of disease dynamics and complex interventions on the spread of an infection in the population. Among many ABES systems, EpiSimdemics comes closest to the popular agent-based epidemic simulation systems developed by Eubank, Longini, Ferguson, and Parker. EpiSimdemics is a general framework that can model many reaction-diffusion processes besides the Susceptible-Exposed-Infectious-Recovered (SEIR) models. This model allows the study of complex systems as they interact, thus enabling researchers t

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33

Hernandez, Eric O. "An Instructional Strategy with Simulations Used to Increase Statistical Literacy among Students in a Hispanic Serving Institution." FIU Digital Commons, 2018. https://digitalcommons.fiu.edu/etd/3849.

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This study analyzed the effects of a randomization-based inference teaching methodology on students’ content mastery in an introductory statistics college course. The sample was 125 undergraduate students from Miami Dade College, a large Hispanic Serving Institution in the Southeast. A pretest-posttest nonequivalent group design was used for the study. Students in the randomization-based teaching modality received exposure to simulation activities, specifically bootstrap confidence intervals and randomization test, that aim to enhance conceptual understanding of inferential statistics, an impo

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34

Zhang, Ruosi. "Simulations of Different P-values Combination Methods Using SNPs on Diverse Biology Levels." Digital WPI, 2019. https://digitalcommons.wpi.edu/etd-theses/1317.

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The method of combination p-values from multiple tests is the foundation for some studies like meta-analysis and detection of signal. There are tremendous methods have been developed and applied like minimum p-values, Cauchy Combination, goodness-of-fit combination and Fisher’s combination. In this paper, I tested their ability to detect signals which is related to real case in biology to find out significant single-nucleotide polymorphisms (SNPs). I simulated p-values for SNPs logistics regression model and test 7 combination methods’ power performance in different setting conditions. I compa

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35

Curk, Tine. "Modelling multivalent interactons." Thesis, University of Cambridge, 2016. https://www.repository.cam.ac.uk/handle/1810/266916.

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A Multivalent entity, which could represent a protein, nanoparticle, polymer, virus or a lipid bilayer, has the ability to form multiple bonds to a substrate. Hence, a multivalent interaction can be strong, even if the individual bonds are weak. However, much more interestingly, multivalency enables the design of highly specific interactions using non-specific individual bonds. We attempt to rationalise multivalent effects using simple physical models complemented with numerical simulations. Based on physiochemical characteristics of multivalent binders, we aim to predict the overall strength

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36

Nikolaou, Marios. "A Matter of Disorder : Monte Carlo Simulations of Phase Transitions in Strongly Disordered Systems." Doctoral thesis, Stockholm : Royal Institute of Technology, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-4313.

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37

Kim, Junhan, Daniel P. Marrone, Chi-Kwan Chan, Lia Medeiros, Feryal Özel, and Dimitrios Psaltis. "BAYESIAN TECHNIQUES FOR COMPARING TIME-DEPENDENT GRMHD SIMULATIONS TO VARIABLE EVENT HORIZON TELESCOPE OBSERVATIONS." IOP PUBLISHING LTD, 2016. http://hdl.handle.net/10150/622523.

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The Event Horizon Telescope (EHT) is a millimeter-wavelength, very-long-baseline interferometry (VLBI) experiment that is capable of observing black holes with horizon-scale resolution. Early observations have revealed variable horizon-scale emission in the Galactic Center black hole, Sagittarius. A* (Sgr A*). Comparing such observations to time-dependent general relativistic magnetohydrodynamic (GRMHD) simulations requires statistical tools that explicitly consider the variability in both the data and the models. We develop here a Bayesian method to compare time-resolved simulation images to

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38

Simon, Thorsten [Verfasser]. "Statistical and Dynamical Downscaling of Numerical Climate Simulations : Enhancement and Evaluation for East Asia [[Elektronische Ressource]] / Thorsten Simon." Bonn : Universitäts- und Landesbibliothek Bonn, 2014. http://d-nb.info/1077289073/34.

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Youmans, Robert L. "The use of color in the output analysis of statistical simulations, and analysis of estimators of serial correlation." Thesis, Monterey, California. Naval Postgraduate School, 1988. http://hdl.handle.net/10945/23142.

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40

Vial, Jessica. "Climate model simulations of winter northern hemisphere atmospheric blocking : statistical assessment, dynamical perspective, regional impacts and future change." Thesis, University of East Anglia, 2012. https://ueaeprints.uea.ac.uk/38862/.

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41

Larson, Lincoln Gary. "Investigating Statistical vs. Practical Significance of the Kolmogorov-Smirnov Two-Sample Test Using Power Simulations and Resampling Procedures." Thesis, North Dakota State University, 2018. https://hdl.handle.net/10365/28770.

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This research examines the power of the Kolmogorov-Smirnov two-sample test. The motivation for this research is a large data set containing soil salinity values. One problem encountered was that the power of the Kolmogorov-Smirnov two-sample test became extremely high due to the large sample size. This extreme power resulted in statistically significant differences between two distributions when no practically significant difference was present. This research used resampling procedures to create simulated null distributions for the test statistic. These null distributions were used to obt

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42

Matek, Christian C. A. "Statistical mechanics of nucleic acids under mechanical stress." Thesis, University of Oxford, 2014. http://ora.ox.ac.uk/objects/uuid:ce44cf50-2001-4f54-8e57-d1757f709fd6.

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In this thesis, the response of DNA and RNA to linear and torsional mechanical stress is studied using coarse-grained models. Inspired by single-molecule assays developed over the last two decades, the end-to-end extension, buckling and torque response behaviour of the stressed molecules is probed under conditions similar to experimentally used setups. Direct comparison with experimental data yields excellent agreement for many conditions. Results from coarse-grained simulations are also compared to the predictions of continuum models of linear polymer elasticity. A state diagram for supercoil

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Ntani, Georgia. "Statistical approaches to the analysis of hierarchical data using simulations and real data from a study of musculoskeletal symptoms." Thesis, University of Southampton, 2017. https://eprints.soton.ac.uk/408722/.

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Clustering of observations is a common phenomenon in epidemiological research. A first objective of this thesis was to explore the situations in which failure to account for clustering in statistical analysis could lead to erroneous conclusions. Using simulated data, I showed that effects estimated from a naïve regression model that ignored clustering were on average unbiased when the outcome was continuous, but were biased towards the null when the outcome was binary. The precision of effect estimates was overestimated when the outcome was binary, and also when both the outcome and explanator

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44

He, Ran. "Some Statistical Aspects of Association Studies in Genetics and Tests of the Hardy-Weinberg Equilibrium." University of Cincinnati / OhioLINK, 2007. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1187009967.

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45

Olano, Lisa Renee. "Thermodynamics of Buried Water in Protein Cavities and Revised Algorithms for Introducing Polarizability to Molecular Dynamics Simulations." ScholarWorks@UNO, 2006. http://scholarworks.uno.edu/td/387.

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Free energy calculations for the transfer of a water molecule from the pure liquid to an interior cavity site in a protein are presented. Three different protein cavities, in bovine pancreatic trypsin inhibitor (BPTI), the I106A mutant of lysozyme, and in the I76A mutant of barnase, represent very different environments for the water molecule, one which is polar, forming four water-protein hydrogen bonds, and two which are more hydrophobic, only forming one or two water-protein hydrogen bonds. The calculations give very different free energies for the different cavities, with only the

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46

Ilić, Milica [Verfasser]. "Statistical analysis of liquid phase turbulence based on direct numerical simulations of bubbly flows / Forschungszentrum Karlsruhe GmbH, Karlsruhe. Milica Ilić." Karlsruhe : FZKA, 2006. http://d-nb.info/982285973/34.

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47

Min, Kyung-Eun. "A Study of Thermal Energy Storage of Phase Change Materials: Thermophysical Properties and Numerical Simulations." PDXScholar, 2019. https://pdxscholar.library.pdx.edu/open_access_etds/4835.

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A Thermal Energy Storage (TES) system is meant for holding thermal energy in the form of hot or cold materials for later utilization. A TES system is an important technological system in providing energy savings as well as efficient and optimum energy use. The main types of a TES system are sensible heat and latent heat. A latent heat storage is a very efficient method for storing or releasing thermal energy due to its high energy storage density at constant temperatures, and a latent heat storage material can store 5-14 times more heat per unit volume than a sensible heat storage material can

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48

Kotdawala, Rasesh R. "Adsorption studies of hazardous air pollutants in microporous adsorbents using statistical mechanical and molecular simulation techniques." Worcester, Mass. : Worcester Polytechnic Institute, 2007. http://www.wpi.edu/Pubs/ETD/Available/etd-050407-112429/.

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Dissertation (Ph.D.) -- Worcester Polytechnic Institute.<br>Keywords: Activated carbons; Hydrogen cyanide; Methyl ethyl ketone; Adsorption; Mercury; Monte-Carlo; Solvents; Molecular simulations; Zeolites; Water; Methanol; Nanopores. Includes bibliographical references (leaves 147-150).

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49

Svidrytski, Artur [Verfasser], and Ulrich [Akademischer Betreuer] Tallarek. "Study of random porous morphologies by means of statistical analysis and computer simulations of fluid dynamics / Artur Svidrytski ; Betreuer: Ulrich Tallarek." Marburg : Philipps-Universität Marburg, 2021. http://d-nb.info/1226287387/34.

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50

Franco, Luís Fernando Mercier. "Study on the thermodynamics of bovine serum albumin aqueous solutions: experiments, modeling and molecular simulations." Universidade de São Paulo, 2015. http://www.teses.usp.br/teses/disponiveis/3/3137/tde-14072016-140814/.

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The interaction between two proteins into salt aqueous solutions is investigated throughout this thesis. Experiments, modeling and molecular simulations were carried out to get a better understanding of the phenomenon. Bovine serum albumin was used as a model protein. An analytical expression for the structure factor for globular proteins in aqueous solution is presented in this work. This expression was obtained considering an intermolecular potential given by the sum of a hard core, a van der Waals attractive and a screened Coulomb contribution. Experimental data of Small Angle X-Ray Scatter

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