Digital Commons Network^™

High Dimensional Non-Linear Optimization Of Molecular Models, Joseph C. Fogarty

USF Tampa Graduate Theses and Dissertations

Molecular models allow computer simulations to predict the microscopic properties of macroscopic systems. Molecular modeling can also provide a fully understood test system for the application of theoretical methods. The power of a model lies in the accuracy of the parameter values which govern its mathematical behavior. In this work, a new software, called ParOpt, for general high dimensional non-linear optimization will be presented. The software provides a very general framework for the optimization of a wide variety of parameter sets. The software is especially powerful when applied to the difficult task of molecular model parameter optimization. Three applications of …

Gate Monte Carlo Simulations In A Cloud Computing Environment, Blake Austin Rowedder

UNLV Theses, Dissertations, Professional Papers, and Capstones

The GEANT4-based GATE is a unique and powerful Monte Carlo (MC) platform, which provides a single code library allowing the simulation of specific medical physics applications, e.g. PET, SPECT, CT, radiotherapy, and hadron therapy. However, this rigorous yet flexible platform is used only sparingly in the clinic due to its lengthy calculation time. By accessing the powerful computational resources of a cloud computing environment, GATE's runtime can be significantly reduced to clinically feasible levels without the sizable investment of a local high performance cluster. This study investigated a reliable and efficient execution of GATE MC simulations using a commercial cloud …

Monte Carlo Simulation: When Should A Contestant Stop Spinning?, Gregory Horn

All Student Theses

Every episode of the popular game show The Price Is Right contains two rounds called The Showcase Showdown or The Big Wheel. During these rounds, three contestants spin a large wheel that consists of monetary values from five cents through one dollar in 5 cent increments. The object of this game is to get closest to one dollar without going over in one or a combination of two spins. The two winners of these rounds get to compete for the most valuable prizes at the end of each show. Monte Carlo simulation will be used to find the range of …

Design Of Cpu Simulation Software For Armv7 Instruction Set Architecture, Dillon Tellier

Computer Engineering

Simulations have long been a part of the engineering process in both the professional and academic domain. From a pedagogic standpoint, simulations allow students to explore the dynamics of engineering scenarios by controlling variables, taking measurements, and observing behavior which would be difficult or impossible without simulation. One such tool is a CPU simulator used in Cal Poly’s Computer Architecture classes; this software simulates an instruction accurate operation of a computer processor and reports statistics regarding the execution of the supplied compiled machine code. For the last several years Cal Poly’s computer architecture classes have used a previous version of …

Simulating Influenza Transmission With Network Data, Henry V. Bongiovi

Statistics

Simulating Influenza Transmission with Real Network Data

Henry Bongiovi BS Statistics, California Polytechnic State University, San Luis Obispo

bongiovihenry@gmail.com

Keywords: Network Data, Simulation, Education, Influenza, Epidemic

Disease has been humanities arch rival since the dawn of our existence. As such, we have been trying our best to understand its spread and proliferation. One of the most common diseases, Influenza, is also one of the most complex. To understand the complexities of its spread would greatly improve our ability to combat it and other diseases like it. Using R in conjunction with the package statnet, I have created a simulation of …

Smarticles: A Method For Identifying And Correcting Instability And Error Caused By Explicit Integration Techniques In Physically Based Simulations, Susan Aileen Marano

Master's Theses

Using an explicit integration method in physically based animations has many advantages including conceptual and computational simplicity, however, it re- quires small time steps to ensure low numerical instability. Simulations with large numbers of individually interacting components such as cloth, hair, and fluid models, are limited by the sections of particles most susceptible to error. This results in the need for smaller time steps than required for the majority of the system. These sections can be diverse and dynamic, quickly changing in size and location based on forces in the system. Identifying and handling these trou- blesome sections could allow …

Comparison Of Different Methods For Estimating Log-Normal Means, Qi Tang

Electronic Theses and Dissertations

The log-normal distribution is a popular model in many areas, especially in biostatistics and survival analysis where the data tend to be right skewed. In our research, a total of ten different estimators of log-normal means are compared theoretically. Simulations are done using different values of parameters and sample size. As a result of comparison, ``A degree of freedom adjusted" maximum likelihood estimator and Bayesian estimator under quadratic loss are the best when using the mean square error (MSE) as a criterion. The ten estimators are applied to a real dataset, an environmental study from Naval Construction Battalion Center (NCBC), …

M.A.E.G.U.S: Measuring Alternate Energy Generation Via Unity Simulation, Kavin Muhilan Nataraja

Open Access Theses

This paper presents the MAEGUS serious game and a study to determine its efficacy as a pedagogical tool. The MAEGUS serious game teaches sustainable energy concepts through gameplay simulating wind turbines and solar arrays. Players take the role of an energy manager for a city and use realistic data and information visualizations to learn the physical factors of wind and solar energy generation. The MAEGUS serious game study compares game assisted learning to a more traditional teaching method such as reading material in a crossover study, the results of which can inform future serious game development for educational purposes.

Numerical Simulation Of Hydrogen Absorption/Desorption Processes In Cylindrical Metal-Hydrogen Reactors For Hydrogen Storage, Fei Han

Doctoral Dissertations

Hydrogen is one of the best fuels because of its high calorific value and environmental friendliness. However, because of its low density, it has storage problems such as high pressure, large volume requirements, heavy weight and safely risks; this quality prevents its wide usage and commercialization.

Researchers have found that some metal/inter-metallic compounds/alloys, such as Mg, La, LaNi5, ZrV2, Mg2Ni and Ti 2Ni, can react with hydrogen and attain relatively large amounts of hydrogen at a relatively low pressure and near normal temperature. Under certain conditions, hydride can desorb hydrogen quickly. Thus, the metal- hydrogen reaction could be a practical …

Robust Regression Methods For Massively Decayed Intelligence Data, Akiva Joachim Lorenz

Wayne State University Dissertations

Homeland Security, sponsored by governmental initiatives, has become a vibrant academic research field. However, most efforts were placed with the recognition of threats (e.g. theory) and response options. Less effort was placed in the analysis of the collected data through statistical modeling. In a field that collects more than 20 terabyte of information per minute though diverse overt and covert means and indexes it for future research, understanding how different statistical models behave when it comes to massively decayed data is of vital importance.

Using Monte Carlo methods, three regression techniques (ordinary least squares, least-trimmed, and maximum likelihood) were tested …

Exponentially Weighted Moving Average Charts For Monitoring The Process Generalized Variance, Anna Khamitova

Electronic Theses and Dissertations

The exponentially weighted moving average chart based on the sample generalized variance is studied under the independent multivariate normal model for the vector of quality measurements. The performance of the chart is based on an analysis of the chart's initial and steady-state run length distributions. The three methods that are commonly used to determinate run length distribution, simulation, the integral equation method, and the Markov chain approximation are discussed. The integral equation and Markov chain approaches are analytical methods that require a nu- merical method for determining the probability density and cumulative distribution functions describing the distribution of the sample …