Physical Sciences and Mathematics Commons^™

Exploring Computational Chemistry On Emerging Architectures, David Dewayne Jenkins

Doctoral Dissertations

Emerging architectures, such as next generation microprocessors, graphics processing units, and Intel MIC cards, are being used with increased popularity in high performance computing. Each of these architectures has advantages over previous generations of architectures including performance, programmability, and power efficiency. With the ever-increasing performance of these architectures, scientific computing applications are able to attack larger, more complicated problems. However, since applications perform differently on each of the architectures, it is difficult to determine the best tool for the job. This dissertation makes the following contributions to computer engineering and computational science. First, this work implements the computational chemistry variational …

Parallel For Loops On Heterogeneous Resources, Frederick Edward Weber

Doctoral Dissertations

In recent years, Graphics Processing Units (GPUs) have piqued the interest of researchers in scientific computing. Their immense floating point throughput and massive parallelism make them ideal for not just graphical applications, but many general algorithms as well. Load balancing applications and taking advantage of all computational resources in a machine is a difficult challenge, especially when the resources are heterogeneous. This dissertation presents the clUtil library, which vastly simplifies developing OpenCL applications for heterogeneous systems. The core focus of this dissertation lies in clUtil's ParallelFor construct and our novel PINA scheduler which can efficiently load balance work onto multiple …

Dynamic Task Execution On Shared And Distributed Memory Architectures, Asim Yarkhan

Doctoral Dissertations

Multicore architectures with high core counts have come to dominate the world of high performance computing, from shared memory machines to the largest distributed memory clusters. The multicore route to increased performance has a simpler design and better power efficiency than the traditional approach of increasing processor frequencies. But, standard programming techniques are not well adapted to this change in computer architecture design.

In this work, we study the use of dynamic runtime environments executing data driven applications as a solution to programming multicore architectures. The goals of our runtime environments are productivity, scalability and performance. We demonstrate productivity by …

Towards A Unification Of Supercomputing, Molecular Dynamics Simulation And Experimental Neutron And X-Ray Scattering Techniques, Benjamin Lindner

Doctoral Dissertations

Molecular dynamics simulation has become an essential tool for scientific discovery and investigation. The ability to evaluate every atomic coordinate for each time instant sets it apart from other methodologies, which can only access experimental observables as an outcome of the atomic coordinates. Here, the utility of molecular dynamics is illustrated by investigating the structure and dynamics of fundamental models of cellulose fibers. For that, a highly parallel code has been developed to compute static and dynamical scattering functions efficiently on modern supercomputing architectures. Using state of the art supercomputing facilities, molecular dynamics code and parallelization strategies, this work also …

Validation Of Weak Form Thermal Analysis Algorithms Supporting Thermal Signature Generation, Elton Lewis Freeman

Masters Theses

Extremization of a weak form for the continuum energy conservation principle differential equation naturally implements fluid convection and radiation as flux Robin boundary conditions associated with unsteady heat transfer. Combining a spatial semi-discretization via finite element trial space basis functions with time-accurate integration generates a totally node-based algebraic statement for computing. Closure for gray body radiation is a newly derived node-based radiosity formulation generating piecewise discontinuous solutions, while that for natural-forced-mixed convection heat transfer is extracted from the literature. Algorithm performance, mathematically predicted by asymptotic convergence theory, is subsequently validated with data obtained in 24 hour diurnal field experiments for …

Power Management For Cloud-Scale Data Centers, Yanwei Zhang

Masters Theses

Recent years have seen the rapid growth of large and geographically distributed data centers deployed by Internet service operators to support various services such as cloud computing. Consequently, high electricity bills, as well as negative environmental implications (e.g., CO2 emission and global warming) come along. In this thesis, we first propose a novel electricity bill capping algorithm that not only minimizes the electricity cost, but also enforces a cost budget on the monthly bill for cloud-scale data centers that impact the power markets. Our solution first explicitly models the impacts of the power demands induced by cloud-scale data centers on …

Math, Minds, Machines, Christopher V. Carlile

Chancellor’s Honors Program Projects

No abstract provided.

Sketchmate: A Computer-Aided Sketching And Simulation Tool For Teaching Graph Algorithms, Kristy Sue Van Hornweder

Doctoral Dissertations

In this dissertation, we developed and tested a sketching, visualization, and simulation tool called Sketchmate for demonstrating graph algorithms commonly taught in undergraduate computer science courses. For this research, we chose to focus on shortest path and network flow algorithms. Two versions of this tool have been implemented: 1) an instructor tool that supports computer-aided manual simulations of algorithms that augment traditional whiteboard presentations, allowing lectures to be more dynamic and interactive, and 2) a student tool that supports computer-aided manual practice of algorithms that enables students to work through homework problems more quickly while providing detailed incremental feedback about …

Real-Time Mobile Stereo Vision, Bryan Hale Bodkin

Masters Theses

Computer stereo vision is used extract depth information from two aligned cameras and there are a number of hardware and software solutions to solve the stereo correspondence problem. However few solutions are available for inexpensive mobile platforms where power and hardware are major limitations. This Thesis will proposes a method that competes with an existing OpenCV stereo correspondence method in speed and quality, and is able to run on generic multi core CPU’s.

A Novel Approach To Assess Environmental Changes In Marine Ecosystems Via Spectroscopic Analyses Of Microalgae, Rebecca Burke Horton

Doctoral Dissertations

Chemical analyses for environmental monitoring encounter many challenges which are imposed by a multitude of chemically complex and interrelated processes. For such investigations, innovative analytical methodologies must be developed which characterize chemical shifts of key environmental parameters in order to deduce insights into their ecological relevance. This dissertation is driven by an analytical chemistry perspective to develop chemical sensing techniques with the ultimate goal of gaining a deeper understanding of environmental changes and their chemical origins.

In order to overcome limitations inherent to any chemical sensor designed for a specific task, new paths are pursued which are based on the …

Development And Experimental Analysis Of Wireless High Accuracy Ultra-Wideband Localization Systems For Indoor Medical Applications, Michael Joseph Kuhn

Doctoral Dissertations

This dissertation addresses several interesting and relevant problems in the field of wireless technologies applied to medical applications and specifically problems related to ultra-wideband high accuracy localization for use in the operating room. This research is cross disciplinary in nature and fundamentally builds upon microwave engineering, software engineering, systems engineering, and biomedical engineering. A good portion of this work has been published in peer reviewed microwave engineering and biomedical engineering conferences and journals. Wireless technologies in medicine are discussed with focus on ultra-wideband positioning in orthopedic surgical navigation. Characterization of the operating room as a medium for ultra-wideband signal transmission …

A Framework For File Format Fuzzing With Genetic Algorithms, Roger Lee Seagle Jr.

Doctoral Dissertations

Secure software, meaning software free from vulnerabilities, is desirable in today's marketplace. Consumers are beginning to value a product's security posture as well as its functionality. Software development companies are recognizing this trend, and they are factoring security into their entire software development lifecycle. Secure development practices like threat modeling, static analysis, safe programming libraries, run-time protections, and software verification are being mandated during product development. Mandating these practices improves a product's security posture before customer delivery, and these practices increase the difficulty of discovering and exploiting vulnerabilities.

Since the 1980's, security researchers have uncovered software defects by fuzz testing …

An Exploratory Study Of The Nature And Composition Of Current Library And Information Science Programs In Indian State Universities, Bharat Mehra, Devendra Potnis, Jennifer Morden

Faculty Publications and Other Works -- EECS

This brief article explores the current state of library and information science (LIS) programs in terms of their nature and composition in state universities in India. Preliminary findings were based on a content analysis of representative information regarding LIS education available on the websites of all state universities and colleges that offer LIS programs in India. Findings indicated broad trends in administrative structuring and nomenclature of LIS programs which requires standardization. The type of degrees awarded, the composition of faculty positions, student places per year and student-faculty ratios was also found to be varied among the different institutions. The lack …