Open Access. Powered by Scholars. Published by Universities.®
- Institution
-
- Chulalongkorn University (197)
- University of South Florida (134)
- Western University (105)
- University of Tennessee, Knoxville (100)
- Louisiana State University (97)
-
- University of Arkansas, Fayetteville (87)
- University of Massachusetts Amherst (81)
- University of South Carolina (81)
- University of Central Florida (80)
- City University of New York (CUNY) (79)
- Utah State University (79)
- Walden University (79)
- Wright State University (79)
- Brigham Young University (75)
- University at Albany, State University of New York (71)
- University of Kentucky (71)
- Missouri University of Science and Technology (69)
- Portland State University (68)
- University of Texas at El Paso (68)
- University of Wisconsin Milwaukee (68)
- Governors State University (63)
- Nova Southeastern University (62)
- University of Nevada, Las Vegas (61)
- San Jose State University (60)
- Washington University in St. Louis (59)
- Wayne State University (56)
- University of New Mexico (54)
- University of Mississippi (52)
- South Dakota State University (51)
- California Polytechnic State University, San Luis Obispo (49)
- Keyword
-
- Pure sciences (41)
- Machine learning (36)
- Department of Computer Science and Engineering (35)
- Machine Learning (35)
- Climate change (27)
-
- Applied sciences (26)
- Chemistry (26)
- Physical Sciences and Mathematics, Chemistry (23)
- Simulation (23)
- Nanoparticles (22)
- Sustainability (20)
- Geochemistry (19)
- Modeling (18)
- Catalysis (17)
- Classification (16)
- GIS (16)
- Groundwater (16)
- Spectroscopy (16)
- Education (15)
- Hydrology (15)
- Conservation (14)
- Geophysics (14)
- Optimization (14)
- Deep learning (13)
- Department of Chemistry (13)
- Geology (13)
- Physics (13)
- Stratigraphy (13)
- Synthesis (13)
- Agriculture (12)
- Publication
-
- Theses and Dissertations (423)
- Electronic Theses and Dissertations (296)
- Chulalongkorn University Theses and Dissertations (Chula ETD) (197)
- Doctoral Dissertations (180)
- USF Tampa Graduate Theses and Dissertations (134)
-
- Honors Theses (111)
- Electronic Thesis and Dissertation Repository (105)
- Masters Theses (86)
- Graduate Theses and Dissertations (80)
- Browse all Theses and Dissertations (79)
- Dissertations (79)
- Walden Dissertations and Doctoral Studies (79)
- Dissertations and Theses (68)
- Open Access Theses & Dissertations (68)
- Dissertations, Theses, and Capstone Projects (61)
- Legacy Theses & Dissertations (2009 - 2024) (61)
- UNLV Theses, Dissertations, Professional Papers, and Capstones (61)
- Master's Projects (60)
- All Graduate Theses and Dissertations, Spring 1920 to Summer 2023 (59)
- All Capstone Projects (56)
- LSU Doctoral Dissertations (55)
- Graduate College Dissertations and Theses (46)
- Wayne State University Dissertations (44)
- Arts & Sciences Electronic Theses and Dissertations (39)
- Dissertations, Theses, and Masters Projects (37)
- Master's Theses (37)
- Boise State University Theses and Dissertations (33)
- CCE Theses and Dissertations (32)
- LSU Master's Theses (32)
- MSU Graduate Theses (32)
Articles 1 - 30 of 3837
Full-Text Articles in Entire DC Network
Kodysynth, Ryan Kody
Kodysynth, Ryan Kody
Williams Honors College, Honors Research Projects
KodySynth is a VST digital synthesizer that can be loaded into any digital audio workstation such as FL Studio, Ableton, or Garageband. The program was made using the JUCE library which helped with streamlining the process and making it easier to create clean and intuitive looking graphics. The project also needs the Maximilian Library of sounds to create the sound waves that listeners will hear when playing the synthesizer. Users will also be able to plug in a MIDI keyboard to play KodySynth. The functionalities include a choice of 5 oscillator wave types, as well as an attack, decay, sustain, …
Electrical Properties Of Metal Semiconductor Contacts - Metals On Mos2: A Case Study, Xiao Chang
Electrical Properties Of Metal Semiconductor Contacts - Metals On Mos2: A Case Study, Xiao Chang
Theses
Properties of monolayer semiconductor, MoS2, are presented in the research. Schottky barrier height and Schottky-Mott rules are discussed. The current-voltage measurement and capacitance-voltage measurement are analyzed considering the role of the work function. We mainly focus on metal semiconductor contacts on molybdenum disulfide (MoS2). The properties of bulk and monolayer molybdenum disulfide are discussed. The differences between the bulk and monolayer, based on band gap structure theory, are presented. Utilizing the data obtained in the literature, the influence of temperature on the electrical properties of monolayer molybdenum disulfide are analyzed. In particular, the electrical properties of metals on MoS2 such …
Characteristics Of Different Deep Neural Networks And Application Of Pre-Trained Model Without Transfer Learning, Zhiqi Peng
Theses
Deep neural networks have been successful in many areas, some of them even surpass human performances. The goal of this thesis is using data simulations to present different characteristics of three deep neural networks: fully connected deep neural network, convolutional neural network, recurrent neural network, which will perform best when dealing with different feature patterns. By using these characteristics to design a deep neural network on top of an adopted pre-trained model with untrainable layers, achieved an averagely 11.1% improvement than a model with transfer learning method.
Looping Predictive Method To Improve Accuracy Of A Machine Learning Model, Subramanyam Reddy Pogili
Looping Predictive Method To Improve Accuracy Of A Machine Learning Model, Subramanyam Reddy Pogili
Theses
The topic of this project is an analysis of drug-related tweets. The goal is to build a Machine Learning Model that can distinguish between tweets that indicate drug abuse and other tweets that also contain the name of a drug but do not describe abuse. Drugs can be illegal, such as heroin, or legal drugs with a potential of abuse, such as painkillers. However, building a good Machine Learning Model requires a large amount of training data. For each training tweet, a human expert has determined whether it indicates drug abuse or not. This is difficult work for humans. …
Gaze-Contingent Displays For Interactive Text Enhancement, Divya Bajaj
Gaze-Contingent Displays For Interactive Text Enhancement, Divya Bajaj
Graduate Masters Theses
Eye trackers are used for measuring a person’s eye movements, for example, while reading text on a screen. This information can be used by scientists to study the human visual system during object recognition or text comprehension. Moreover, engineers can build gaze-controlled interfaces that trigger a variety of actions when the user looks at pre-specified icons on a screen. In my research, I studied how gaze-contingent displays can be used to enhance the information that is provided by texts. First, I implemented a simple scripting language that allows even users without programming experience to set up gaze-contingent text displays. The …
Effects Of Sodium Chloride On Anthracene Photolysis Kinetics In Aqueous-Organic Solutions, Kyle Blaha
Effects Of Sodium Chloride On Anthracene Photolysis Kinetics In Aqueous-Organic Solutions, Kyle Blaha
Theses - ALL
Polycyclic aromatic hydrocarbons (PAHs) are dangerous pollutants. The photolysis kinetics of PAHs are of interest because they are carcinogenic and can increase in toxicity through photodegradation into secondary products. They are often associated with particulate matter. The composition and physical properties of the particulate matter can affect PAH photolysis kinetics. We investigated the effects of sodium chloride on the photolysis kinetics of the PAH anthracene in water and octanol as well as mixed-phase solutions (water-octanol), which were used as models for aqueous-organic aerosols. A non-linear dependence on sodium chloride concentrations was observed. Sodium chloride enhanced photolysis at concentrations up to …
Vitamin B12 Bioconjugates In Pharmaceutical Design, Jayme Leigh Workinger
Vitamin B12 Bioconjugates In Pharmaceutical Design, Jayme Leigh Workinger
Dissertations - ALL
Abstract
This thesis addresses several questions focused on the vitamin B12 (B12) dietary uptake pathway, in particular that of the enteric B12 transport protein intrinsic factor (IF) and its receptor cubilin, and the expression and exploitation of IF/cubilin in pharmaceutical development.
Q1: (Chapter 2) Does an 89Zr-B12 conjugate allow for improved background/noise ratio, relative to 99mTc and 64Cu B12 conjugates, in in vivo tumor uptake?
Goal: Conduct positron emission tomography (PET) imaging and biodistribution studies in mice bearing MDA-MB-453 breast cancer tumors using a new 89Zr-B12 conjugate.
Q2: (Chapter 3) What is the uptake of systemically administered holo-intrinisic factor bound …
Gamma-Ray Metallic Magnetic Calorimeters With Nbta Passive Persistent Switches And Electroformed Au Absorbers, Ruslan Hummatov
Gamma-Ray Metallic Magnetic Calorimeters With Nbta Passive Persistent Switches And Electroformed Au Absorbers, Ruslan Hummatov
Physics & Astronomy ETDs
Metallic Magnetic Calorimeters (MMCs) are low temperature particle detectors which can be used for a wide range of applications including high-resolution γ -ray spectroscopy. High energy resolution in γ -ray spectroscopy is desired for Non Destructive Assay (NDA) of nuclear material and improved measurements of nuclear data. Our group has been developing γ -ray MMCs that should ultimately provide energy resolution more than an order of magnitude better than the benchmark detector technology, high purity germanium detectors (HPGe). Two components of these MMCs have been developed as a part of this dissertation: an on-chip passive superconducting persistent current switch and …
On The Extended Hensel Construction And Its Application To The Computation Of Real Limit Points, Masoud Ataei Jaliseh
On The Extended Hensel Construction And Its Application To The Computation Of Real Limit Points, Masoud Ataei Jaliseh
Electronic Thesis and Dissertation Repository
The Extended Hensel Construction (EHC) is a procedure which, for an input bivariate polyno- mial with complex coefficients, can serve the same purpose as the Newton-Puiseux algorithm. We show that the EHC requires only linear algebra and univariate polynomial arithmetic. We deduce complexity estimates and report on a software implementation together with experimental results. This work is motivated and illustrated by two applications. The first one is the computation of real branches of space curves. The second one is the computation of limits of real multivariate rational function. For the latter, we present an algorithm for determining the existence of …
Weighted Inequalities For Dyadic Operators Over Spaces Of Homogeneous Type, David Edward Weirich
Weighted Inequalities For Dyadic Operators Over Spaces Of Homogeneous Type, David Edward Weirich
Mathematics & Statistics ETDs
A so-called space of homogeneous type is a set equipped with a quasi-metric and a doubling measure. We give a survey of results spanning the last few decades concerning the geometric properties of such spaces, culminating in the description of a system of dyadic cubes in this setting whose properties mirror the more familiar dyadic lattices in R^n . We then use these cubes to prove a result pertaining to weighted inequality theory over such spaces. We develop a general method for extending Bellman function type arguments from the real line to spaces of homogeneous type. Finally, we uses this …
An Application Of M-Matrices To Preserve Bounded Positive Solutions To The Evolution Equations Of Biofilm Models, Richard S. Landry Jr.
An Application Of M-Matrices To Preserve Bounded Positive Solutions To The Evolution Equations Of Biofilm Models, Richard S. Landry Jr.
University of New Orleans Theses and Dissertations
In this work, we design a linear, two step implicit finite difference method to approximate the solutions of a biological system that describes the interaction between a microbial colony and a surrounding substrate. Three separate models are analyzed, all of which can be described as systems of partial differential equations (PDE)s with nonlinear diffusion and reaction, where the biological colony grows and decays based on the substrate bioavailability. The systems under investigation are all complex models describing the dynamics of biological films. In view of the difficulties to calculate analytical solutions of the models, we design here a numerical technique …
Underwater Acoustic Signal Analysis Toolkit, Kirk Bienvenu Jr
Underwater Acoustic Signal Analysis Toolkit, Kirk Bienvenu Jr
University of New Orleans Theses and Dissertations
This project started early in the summer of 2016 when it became evident there was a need for an effective and efficient signal analysis toolkit for the Littoral Acoustic Demonstration Center Gulf Ecological Monitoring and Modeling (LADC-GEMM) Research Consortium. LADC-GEMM collected underwater acoustic data in the northern Gulf of Mexico during the summer of 2015 using Environmental Acoustic Recording Systems (EARS) buoys. Much of the visualization of data was handled through short scripts and executed through terminal commands, each time requiring the data to be loaded into memory and parameters to be fed through arguments. The vision was to develop …
Hydrodynamic Controls On The Morphodynamic Evolution Of Subaqueous Landforms, Timothy L. Nelson
Hydrodynamic Controls On The Morphodynamic Evolution Of Subaqueous Landforms, Timothy L. Nelson
University of New Orleans Theses and Dissertations
The southern Chandeleur Islands are an ideal setting to study shoal evolution given their history of submergence and re-emergence. Here, numerical models shed light on the attendant processes contributing to shoal recovery/reemergence following a destructive storm event. Simulations of a synthetic winter storm along a cross-shore profile using Xbeach shows that convergence of wave-induced sediment transport associated with repeated passage of cold-fronts initiates aggradation, but does not lead to reemergence. A Delft3d model of the entire island chain shows that as these landforms aggrade alongshore processes driven by incident wave refraction on the shoal platform, backbarrier circulation and resulting transport …
Three-Dimensional Nanomaterials For Supercapacitor Applications: From Metal Oxides To Metal Phosphides, Zhi Zheng
University of New Orleans Theses and Dissertations
Over the past few years, energy storage devices have received tremendous interest due to the increasing demand for sustainable and renewable energy in modern society. Supercapacitors are considered as one of the most promising energy storage devices because of their high power density and long cycle life. However, low energy density remains as the main shortcoming for supercapacitors. The overall performance of supercapacitors is predominantly determined by the characteristics of the electrodes. Specifically, constructing nanostructured electrode material has been proven as an efficient way to improve the performance by providing large surface area and short ionic and electronic diffusion paths. …
Fabrication And Characterization Of Intricate Nanostructures, Treva T. Brown
Fabrication And Characterization Of Intricate Nanostructures, Treva T. Brown
University of New Orleans Theses and Dissertations
Encapsulation of nanoparticles within hexaniobate nanoscrolls presents interesting advances in the formation of nanocomposites exhibiting unique multi-dimensional properties. Building upon previous successes, facile yet versatile wet-chemical and microwave-irradiation synthetic protocols for the fabrication of a series of hexaniobate composites are presented herein. Solvothermal and, more recently, microwave-assisted methods have been developed that allow for the fabrication of peapod-like structures. During solvothermal treatment, exfoliated hexaniobate nanosheets scroll around highly ordered chains of preformed nanoparticles (NPs) to produce nanopeapods (NPPs). This approach offers versatility and high yields, in addition to the potential for advanced functional device fabrication.
For the characterization of these …
Automated Species Classification Methods For Passive Acoustic Monitoring Of Beaked Whales, John Lebien
Automated Species Classification Methods For Passive Acoustic Monitoring Of Beaked Whales, John Lebien
University of New Orleans Theses and Dissertations
The Littoral Acoustic Demonstration Center has collected passive acoustic monitoring data in the northern Gulf of Mexico since 2001. Recordings were made in 2007 near the Deepwater Horizon oil spill that provide a baseline for an extensive study of regional marine mammal populations in response to the disaster. Animal density estimates can be derived from detections of echolocation signals in the acoustic data. Beaked whales are of particular interest as they remain one of the least understood groups of marine mammals, and relatively few abundance estimates exist. Efficient methods for classifying detected echolocation transients are essential for mining long-term passive …
Mathematical Formulation Of Fusion Energy Magnetohydrodynamics, Nikolaos I. Xiros
Mathematical Formulation Of Fusion Energy Magnetohydrodynamics, Nikolaos I. Xiros
University of New Orleans Theses and Dissertations
Chapter 1 presents the basic principles of Controlled Thermonuclear Fusion, and the approaches to achieve nuclear fusion on Earth. Furthermore, the basic components of the Tokamak, the reactor which will house the fusion reaction, are analyzed. Finally, the chapter ends with a discussion on how the present thesis is related to the Controlled Thermonuclear Fusion. Chapter 2 introduces briefly the basic concepts of the Electromagnetic and Magnetohydrodynamic theories as well as MHD turbulence. Chapter 3 presents a first glance in OpenFOAM CFD library. Chapter 4 introduces the Orszag-Tang vortex flow, which is a benchmark test case for MHD numerical models. …
Mitigating Non-Linearity In Full Waveform Inversion Using Scaled-Sobolev Norms, Mohammad Akbar Hosain Zuberi
Mitigating Non-Linearity In Full Waveform Inversion Using Scaled-Sobolev Norms, Mohammad Akbar Hosain Zuberi
Electronic Thesis and Dissertation Repository
Seismic full waveform inversion (FWI) is a non-linear problem. The Born approximation provides a way to linearize FWI and obtain a gradient in a computationally efficient manner. However, this linearization is only valid if the background velocity is sufficiently known, which often is not possible in practice. There have been various attempts at solving problems associated with the non-linearity of FWI by separating the problems of background and scatterer inversion. Most of the methods, however either depend on the availability of low frequencies and large offsets in the data, or separate the spatial scales completely, which removes the scattered information …
Characterizing Basement Structures To Evaluate Their Influence On Overlaying Sedimentary Layers: Case Study Of Three Fields In The Central Kansas Uplift, Muhammad S. Karim
Characterizing Basement Structures To Evaluate Their Influence On Overlaying Sedimentary Layers: Case Study Of Three Fields In The Central Kansas Uplift, Muhammad S. Karim
Master's Theses
Potential field and well log data were used to investigate basement features and the overlaying sedimentary layers across four counties in the Central Kansas Uplift. The objective of this study was to (1) investigate and determine the orientation of basement structures/features, (2) estimate the depth to basement, and (3) examine the influence (if any) and relationship between the basement features and the overlaying sedimentary deposits of three oil fields in the study area. Aeromagnetic data was used to interpret and map basement features by applying derivative filters. Well log data was used to pick formation top values and create contour …
Assessment Of Vegetation Response To Wildfire At Bandelier National Monument, New Mexico: Case Study Of The Las Conchas Fire, Gladys Valentin-Gonzalez
Assessment Of Vegetation Response To Wildfire At Bandelier National Monument, New Mexico: Case Study Of The Las Conchas Fire, Gladys Valentin-Gonzalez
Geography ETDs
In the past couple of decades, there has been an increase in the occurrence of wildfire events in the United States. The U.S. Forest Service estimates that over 73,000 wildfires on average occur annually in the U.S., burning about 7.3 million acres of land. Bandelier National Monument, in northern New Mexico, has been affected by several wildfires in the past 40 years, one of the most recent being the Las Conchas Fire in 2011, which burned over 60,700 hectaresin Bandelier National Monument and Valles Caldera National Preserve. This research explores a remote-sensing based assessment of vegetation response to and recovery …
The Official Rulebook For Choice In Video Games: An Examination Of Choice In Modern Narrative Games, Tyler Paulley
The Official Rulebook For Choice In Video Games: An Examination Of Choice In Modern Narrative Games, Tyler Paulley
Undergraduate Theses
Film, drama, and novels are each capable of telling stories in a specialized way. This thesis makes the claim that video games are the newest means of storytelling and that they can tell stories in unique and engaging ways by using choice. The first goal of this thesis is to determine how and why choice is being used by game developers by examining several modern narrative games. After this examination, it is determined that the increase of choice-driven and narrative games have had an impact on the expectations of players, the goals of video games, and on game culture itself. …
Unseen Science: Modern Discoveries Too Far Away Or Tiny For Human Eyes, Lucy Huang
Unseen Science: Modern Discoveries Too Far Away Or Tiny For Human Eyes, Lucy Huang
Capstones
As science has progressed, scientists have realized that evidence goes beyond the realms of physical sight. Whether it is too small or difficult to find, scientists have developed different ways to get around this problem. We see this in cancer genomics and in extrasolar planetary research. Scientists use what they know and what they measure to validate their work.
https://lucy-huang-9tge.squarespace.com/
Structural Analysis Of The Northwest Wind Mountain Quadrangle, New Mexico: Proterozoic Shearing To Cenozoic Brittle Faulting In The Burro Mountains, Jensen Kohl Angelloz
Structural Analysis Of The Northwest Wind Mountain Quadrangle, New Mexico: Proterozoic Shearing To Cenozoic Brittle Faulting In The Burro Mountains, Jensen Kohl Angelloz
Electronic Theses and Dissertations
Preliminary investigation of the Bullard Peak metamorphic series (BPMS) in the northwestern Wind Mountain quadrangle within the Burro Mountains of southwestern New Mexico suggests a possible previously unidentified shear zone, prompting detailed (1:12,000) geologic mapping and collection of structural data. The study area has a complex tectonic history, including 1) ~1.65 Ga metamorphism during accretion of the Mazatzal terrane to Laurentia’s southern margin; 2) ~1.4 Ga intrusion of Granite and Rhyolite Province granitoids; 3) significant uplift during the formation of the Ancestral Rockies (~300 Ma) and the Rocky Mountains (~70-50 Ma); and 4) inversion tectonics with reactivation of compressional faults …
Muon-Neutrino Electron Elastic Scattering And A Search For The Muon-Neutrino Magnetic Moment In The Nova Near Detector, Biao Wang
Physics Theses and Dissertations
We use the NOvA near detector and the NuMI beam at Fermilab to study the neutrino-electron elastic scattering and the muon neutrino magnetic process beyond the Standard Model physics. The particle identifications of neutrino on electron elastic scattering are trained by using the multi-layer neural networks. This thesis provides a general discussion of this technique and shows a good agreement between data and MC for the neutrino-electron elastic weak scattering. By using 3.62e20 POT dataset in the NOvA near detector, we find 1.58e-9 Bohr magneton as the 90% C.L. upper limit. We also find a sensitivity of 8e-10 Bohr magneton …
Of Rats And Men, Thomas S. Walsh
Of Rats And Men, Thomas S. Walsh
Capstones
This capstone is a data-driven investigation into New York City's rat problem. By using publicly available government data to map rat activity in NYC, I identified several socio-economic variables that correlate with rat populations at the community district, borough, and city-scale. I used these findings (mainly that rat problems are linked to lower incomes) as the basis of an investigation, which includes interviews with residents, experts, and city officials. Prof. Bobby Corrigan, urban rodentologist and formerly with the NYC Department of Health criticizes the city's efforts for the first time on the record.
https://thomasseiyawalsh.wixsite.com/ratstone
A Little Known Trade Deal Could Soon Derail America's Booming Solar Industry, Sam Donnenberg
A Little Known Trade Deal Could Soon Derail America's Booming Solar Industry, Sam Donnenberg
Capstones
A trade deal has been winding its way through hearings at the International Trade Commission for months that could have major consequences for America's solar energy industry. Two solar energy companies are requesting that tariffs be applied to Chinese solar product imports. But industry analysts say this will cause the price of solar to rise and harm the industry during a period of unprecedented growth. The petition has only one stop left on its way to approval: The desk of President Trump.
https://www.alanapipe.com/sam-donnenberg/sam-donnenberg-index.html
Username: sam-donnenberg
Password: capstone
Using Foraminifera In Stemseas Site 1 To Understand The Recent Paleoceanographic And Paleoclimatic History Of Tanner Basin, California Borderland, Michael Stanley Stone
Using Foraminifera In Stemseas Site 1 To Understand The Recent Paleoceanographic And Paleoclimatic History Of Tanner Basin, California Borderland, Michael Stanley Stone
Senior Honors Projects, 2010-2019
In May of 2016, the STEMSEAS Educational Transit cruise OC1605-tranA collected the STEMSEAS Site 1 core from the Tanner Basin in the California Borderland. This research serves as the first formal survey of the foraminifera preserved within that core. The purpose of this research is to use foraminifera preserved within that core to understand the recent depositional and paleoenvironmental conditions at Site 1, and to place that information into a regional paleoceanographic and paleoclimatic context. In pursuing this purpose, this research aims to answer three questions: 1) Can biostratigraphic markers in the foraminiferal assemblages in STEMSEAS Site 1 core be …
Geology Of The Northern Alto Relex Area, Big Bend National Park, Brewster County, Texas, Robert Schoen
Geology Of The Northern Alto Relex Area, Big Bend National Park, Brewster County, Texas, Robert Schoen
Electronic Theses and Dissertations
Detailed, 1:12,000-scale geologic field mapping was conducted around Alto Relex in the northern Sierra Del Carmen Mountains in Big Bend National Park. Alto Relex is a prominent, near vertical, ~1000 foot-high fault-line scarp. Cretaceous rocks in the area were folded and faulted by Laramide compression, intruded by Tertiary sills and overprinted by high-angle normal faults from Basin and Range extension. During the Laramide Orogeny and Basin and Range extension, the underlying basement shear zone called, the Texas Lineament, was reactivated creating a transpressional and transtensional regimes. The general geology of this area was outlined by Moustafa (1988) working primarily from …
Quantum Chemical Studies Of Noncovalent Interactions And Multicenter Bonds Utilizing Local Vibrational Modes, Vytor Oliveira
Quantum Chemical Studies Of Noncovalent Interactions And Multicenter Bonds Utilizing Local Vibrational Modes, Vytor Oliveira
Chemistry Theses and Dissertations
Noncovalent interactions play an important role for the design of novel drugs, better catalysts, synthesis of complex supramolecular structures, and so on. To develop new materials, a well-founded knowledge of how to control the strength of these interactions is desirable. Despite the many investigations done so far, a quantitative assessment of the intrinsic strength of most types of noncovalent interactions is still missing. Recently and for the first time, the Konkoli-Cremer local modes analysis was successfully used to probe the intrinsic strength of hydrogen and pnicogen bonds. We extended these investigations to more than 300 halogen and chalcogen bonds. A …
Feasible Computation In Symbolic And Numeric Integration, Robert H.C. Moir
Feasible Computation In Symbolic And Numeric Integration, Robert H.C. Moir
Electronic Thesis and Dissertation Repository
Two central concerns in scientific computing are the reliability and efficiency of algorithms. We introduce the term feasible computation to describe algorithms that are reliable and efficient given the contextual constraints imposed in practice. The main focus of this dissertation then, is to bring greater clarity to the forms of error introduced in computation and modeling, and in the limited context of symbolic and numeric integration, to contribute to integration algorithms that better account for error while providing results efficiently.
Chapter 2 considers the problem of spurious discontinuities in the symbolic integration problem, proposing a new method to restore continuity …