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Novel Approaches To Compute Manifold Operators With The Radial Basis Functions Method, Jacob James Blazejewski Jan 2023

Novel Approaches To Compute Manifold Operators With The Radial Basis Functions Method, Jacob James Blazejewski

Dissertations, Master's Theses and Master's Reports

The bulk of this dissertation is mainly composed of four chapters, which are organized as follows: Chapter 1 provides an introduction to the Radial Basis Functions (RBF) method by briefly outlining its historical developments and reviewing the RBF interpolation and the RBF-Finite Difference (FD) methodologies, and their advantages/disadvantages. Chapter 2 describes the Orthogonal Gradients (OGr) method and the Fast OGr method and how these can be used to compute differential operators restricted to hypersurfaces and space curves ($\Gamma$) embedded in R3. We will highlight a challenge of pairing Fast OGr with RBF-FD on nearly flat local clusters and how to …


Invasive Buckthorn Mapping: A Uav-Based Approach Utilizing Machine Learning, Gis, And Remote Sensing Techniques In The Upper Peninsula Of Michigan, Vikranth Madeppa Jan 2023

Invasive Buckthorn Mapping: A Uav-Based Approach Utilizing Machine Learning, Gis, And Remote Sensing Techniques In The Upper Peninsula Of Michigan, Vikranth Madeppa

Dissertations, Master's Theses and Master's Reports

An Invasive species is a species that is alien or non-native to the ecosystem which causes harm to economic, environmental, or human health (E.O. 13112 of Feb 3, 1999). Invasive species have posed a serious threat to ecosystems across the globe. These invasive species have impacts on the biodiversity and productivity of invaded forests. Remotely sensed data is a valuable resource for understanding and addressing issues related to invasive species. This study presents a novel approach for mapping the distribution of two invasive plant species, Common and Glossy Buckthorn, using unmanned aerial vehicles (UAVs), machine learning algorithms, geographic information systems …


Physical Activity And Exercise With Blood Flow Restriction As Medicine During The Covid-19 Pandemic And Beyond, Isaac J. Wedig Jan 2023

Physical Activity And Exercise With Blood Flow Restriction As Medicine During The Covid-19 Pandemic And Beyond, Isaac J. Wedig

Dissertations, Master's Theses and Master's Reports

During the COVID-19 pandemic, physical activity levels have decreased and sitting time has increased. This is a major concern as physical inactivity increases the risk for severe COVID-19 outcomes. Evidence also indicates that COVID-19 survivors can experience reduced physical function (i.e., ability to complete daily living activities) long after acute illness. Currently, there are no evidence-based guidelines for recovering physical function following COVID-19 infection. Exercise with blood flow restriction (BFR) presents a promising rehabilitation strategy as the benefits of traditional exercise can be achieved using lower intensities. However, several barriers such as cost, access to equipment, and lack of standardized …


Developing A Regional Scale Landslide Early Warning System In A Data-Sparse Region Using Remote Sensing, Geostatistics, And Google Earth Engine, Vishnu Chakrapani Lekha Jan 2023

Developing A Regional Scale Landslide Early Warning System In A Data-Sparse Region Using Remote Sensing, Geostatistics, And Google Earth Engine, Vishnu Chakrapani Lekha

Dissertations, Master's Theses and Master's Reports

The Landslide Early Warning System (LEWS) is a non-structural approach to mitigate landslide risk by alerting vulnerable communities at an early stage. This study aimed to develop a regional LEWS for rain-induced shallow landslides in Idukki, a mountainous district in India with sparse rainfall data. The landslide model consists of a rainfall component and a slope stability component. Satellite precipitation data can be used in data-sparse regions, but they must be calibrated because they tend to underestimate rainfall. To improve the accuracy of satellite data, this study used a geostatistics-based multi-criteria approach to identify optimal locations to install new rain …


Cancer/Testis Gene Expression Changes In Metastatic Cancer, Clara M. Mosentine Jan 2023

Cancer/Testis Gene Expression Changes In Metastatic Cancer, Clara M. Mosentine

Dissertations, Master's Theses and Master's Reports

Metastasis is the movement of cancerous cells to new parts of the body, often through the blood or lymph systems. Metastasis is classified as stage IV cancer, a prognosis that is significantly more difficult to effectively treat compared to earlier cancer stages. We are interested in assessing whether expression of Cancer/testis (CT) genes, a class of genes that are predominantly expressed in germ cells while also being abnormally expressed in a large percentage of cancers, is associated with cancer metastasis. Germ cells make up an organism’s reproductive system, such as the testis and ovaries, and exhibit cellular immortality and, in …


Characterization Of Vernal Pools Across National Parks In The Great Lakes Region, Samantha R. Kurkowski Jan 2023

Characterization Of Vernal Pools Across National Parks In The Great Lakes Region, Samantha R. Kurkowski

Dissertations, Master's Theses and Master's Reports

Vernal pools are small, ephemeral wetlands that become inundated each spring and provide many ecosystem services to the surrounding upland forests. They also provide critical habitat for amphibians and invertebrates, as their temporary nature keeps them free of fish and reduces predator populations. As part of a mapping project, we collected baseline field data on vernal pool characteristics throughout five Great Lakes National Parks: Pictured Rocks National Lakeshore, Sleeping Bear Dunes National Lakeshore, Apostle Islands National Lakeshore, Isle Royale National Park, and Voyagers National Parks. Our goals were to characterize and assess how vernal pools vary within and across the …


Neuroevolution And Machine Learning Research Applied To Connected Automated Vehicle And Powertrain Control, Frédéric F. Jacquelin Jan 2023

Neuroevolution And Machine Learning Research Applied To Connected Automated Vehicle And Powertrain Control, Frédéric F. Jacquelin

Dissertations, Master's Theses and Master's Reports

This dissertation focuses on advancing Predictive Energy Management (PrEM) functions applied to modern connected and automated vehicles (CAV) cohorts. PrEM aims to utilize connectivity and ADAS functions to adaptively minimize vehicle energy consumption in a wide array of operations, extending the original control designed around a reduced set of test cycle procedures to adapt to real-world stochastic operating conditions. This research document is built upon three journal publications covering two PrEM schemes; the global cohort and local vehicle optimization paths. Both optimal control solutions are generated using various Neuroevolution centric processes.

Chapter 1 discusses the methods and reasoning behind the …


Study Of Electronic And Magnetic Properties Of Bilayer Graphene Nanoflakes And Bimetallic Chalcogenides Using First-Principles Density Functional Theory And Machine Learning, Dharmendra Pant Jan 2023

Study Of Electronic And Magnetic Properties Of Bilayer Graphene Nanoflakes And Bimetallic Chalcogenides Using First-Principles Density Functional Theory And Machine Learning, Dharmendra Pant

Dissertations, Master's Theses and Master's Reports

Graphene, a one-atom-thick material, has been a wonder material since its discovery because of its superlative electronic, mechanical, and optical properties. When a layer of graphene is rotated over another layer, it exhibits many intriguing behaviors, ranging from superconductivity to the anomalous Hall effect to ferromagnetism at a magic angle of 1°, and hence the twisted bilayer graphene has been the subject of intense research in recent years. The surge in interest in this moiré structure can be attributed to the emergence of electronic flat minibands near the magic angle. Here, we studied the electronic and magnetic properties of twisted …


A Case Study On The Practice Of Carbon Offset Projects In Michigan: Forest Practitioners’ Perspectives, Zachary B. Hough Solomon Jan 2023

A Case Study On The Practice Of Carbon Offset Projects In Michigan: Forest Practitioners’ Perspectives, Zachary B. Hough Solomon

Dissertations, Master's Theses and Master's Reports

This report examines the practice of carbon offset programs on private nonindustrial forestlands in the state of Michigan ass. Previously, the state of Michigan provided technical assistance for enrollment in carbon offsets through the Michigan Working Forest Carbon Offset Program, but this program has now been discontinued. Currently, private companies and nongovernmental organizations are developing projects throughout the state with nonindustrial private landowners. This descriptive analysis in this case study examines the roles of different forest practitioners who are working on carbon offsets, including private consulting foresters and foresters within Michigan public agencies. I review the academic and grey literature …


Multiscale Molecular Modeling Studies Of The Dynamics And Catalytic Mechanisms Of Iron(Ii)- And Zinc(Ii)-Dependent Metalloenzymes, Sodiq O. Waheed Jan 2023

Multiscale Molecular Modeling Studies Of The Dynamics And Catalytic Mechanisms Of Iron(Ii)- And Zinc(Ii)-Dependent Metalloenzymes, Sodiq O. Waheed

Dissertations, Master's Theses and Master's Reports

Enzymes are biological systems that aid in specific biochemical reactions. They lower the reaction barrier, thus speeding up the reaction rate. A detailed knowledge of enzymes will not be achievable without computational modeling as it offers insight into atomistic details and catalytic species, which are crucial to designing enzyme-specific inhibitors and impossible to gain experimentally. This dissertation employs advanced multiscale computational approaches to study the dynamics and reaction mechanisms of non-heme Fe(II) and 2-oxoglutarate (2OG) dependent oxygenases, including AlkB, AlkBH2, TET2, and KDM4E, involved in DNA and histone demethylation. It also focuses on Zn(II) dependent matrix metalloproteinase-1 (MMP-1), which helps …


Finer Details Of Language Modeling: Text Segmentation, Working Within Resource Limits, And Watermarking, Evan Gordon Lucas Jan 2023

Finer Details Of Language Modeling: Text Segmentation, Working Within Resource Limits, And Watermarking, Evan Gordon Lucas

Dissertations, Master's Theses and Master's Reports

Language modeling is a vast sub-field of natural language processing and this work focuses on solving some specific problems within that field. Technically, the work falls into a number of sub-categories within natural language processing; how to segment texts, improving sparse transformer performance for summarization tasks, character level models for dialect determination, watermarking of large language models, and a general method of incorporating minimal human feedback for continual or online learning. Despite touching on many small areas, they all connect as being related to the very general problem of handling sequential data. Language and text can be thought of as …


Machine Learning Methods For Prediction Of Human Infectious Virus And Imputation Of Hla Alleles, Xiaoqing Gao Jan 2023

Machine Learning Methods For Prediction Of Human Infectious Virus And Imputation Of Hla Alleles, Xiaoqing Gao

Dissertations, Master's Theses and Master's Reports

This dissertation contains three Chapters. The following is a concise description of each Chapters.

In Chapter 1, we introduced the Random Forest, a machine learning method, to foresee whether a virus is capable of infecting humans. The Covid pandemic informs us the importance of predicting the ability of a zoonotic virus that can infect humans from its genomic sequence. We used the -mer with and as features of a virus to predict if it can affect humans. We further employed the Boruta algorithm to select the important features, then fed those important features into the Random Forest method to train …


Exercise Is Medicine® On Campus: A National Analysis And Assessment Of Community Impact, Isaac M. Lennox Jan 2023

Exercise Is Medicine® On Campus: A National Analysis And Assessment Of Community Impact, Isaac M. Lennox

Dissertations, Master's Theses and Master's Reports

Introduction: The American College of Sports Medicine (ACSM) founded the Exercise is Medicine® on Campus (EIM-OC) initiative, which calls upon colleges and universities to promote physical activity on their campuses. The distribution of EIM-OC programs across the U.S. has not been reported. In addition, the impact that EIM-OC programs have on community-level physical activity prevalence is unknown. The purpose of my thesis was to evaluate and enhance the EIM-OC initiative to promote physical activity and overall health in the U.S. Methods: Recognized EIM-OC programs in the U.S. (n=131) were described based on local, county, state, and regional-level variables. Local variables …


Remote Sensing Approach For Terramechanics Applications Utilizing Machine And Deep Learning, Jordan J. Ewing Jan 2023

Remote Sensing Approach For Terramechanics Applications Utilizing Machine And Deep Learning, Jordan J. Ewing

Dissertations, Master's Theses and Master's Reports

Terrain traversability is critical for developing Go/No Go maps, significantly impacting a mission's success. To predict the mobility of a vehicle over a terrain, one must understand the soil characteristics. In situ measurements performed by soldiers in the field are the current method of collecting this information, which is time-consuming, are only point measurements, and can put soldiers in harm's way. Therefore, this study investigates using remote sensing as an alternative approach to characterize terrain properties.

This approach will explore the relationships between electromagnetic radiation and soil types with varying properties. Optical, thermal, and hyperspectral sensors will be used to …


The Flight Attendants Of Academia: Liminality, Emotional Labor, And Feminization In Graduate Student Writing Program Administrators, Laura Vidal Chiesa Jan 2023

The Flight Attendants Of Academia: Liminality, Emotional Labor, And Feminization In Graduate Student Writing Program Administrators, Laura Vidal Chiesa

Dissertations, Master's Theses and Master's Reports

Writing Program Administration (WPA) is an interdisciplinary field that addresses the management and development of writing programs in educational institutions. WPA entails writing instruction pedagogy, curriculum design, assessment, and faculty development pertaining to the teaching of writing. Graduate students in Humanities and English-based programs typically fill this position which can offer a career trajectory. However, the position is often experienced as demanding, unrewarding and does not deliver on the career-enhancing experience it seems to promise. Historically, this is unsurprising given that the position has been a subordinated role occupied by women in composition. And yet, the troubles besetting contemporary graduate …


Dynamic Mode Decomposition Approach For Estimating The Shape Of A Cable, Yash Manik Chavan Jan 2023

Dynamic Mode Decomposition Approach For Estimating The Shape Of A Cable, Yash Manik Chavan

Dissertations, Master's Theses and Master's Reports

This study investigates the dynamic behavior of a flexible cable with heterogeneous stiffness using a data-driven approach. The study aims to develop accurate models describing intricate structures with rigid or flexible components. To achieve this, reflective markers were attached to the cable at equal spacing, and the motion was manually excited and captured using an 8-camera setup and OptiTrack's Motive software.

The cable displacement data at the marker locations were used as initial conditions for various Dynamic Mode Decomposition (DMD) models. The performance of the data- driven cable model is compared against the performance of the DMD modeling approach, fitting …


Study Of Nanocomposite Materials Using Molecular Dynamics, Prashik Sunil Gaikwad Jan 2023

Study Of Nanocomposite Materials Using Molecular Dynamics, Prashik Sunil Gaikwad

Dissertations, Master's Theses and Master's Reports

There is an increase in demand for new lightweight structural materials in the aerospace industry for more efficient and affordable human space travel. Polymer matrix composites (PMCs) with reinforcement material as carbon nanotubes (CNTs) have shown exceptional increase in the mechanical properties. Flattened carbon nanotubes (flCNTs) are a primary component of many carbon nanotube (CNT) yarn and sheet materials, which are promising reinforcements for the next generation of ultra-strong composites for aerospace applications. These flCNT/polymer materials are subjected to extreme pressure and temperature during curing process. Therefore there is a need to investigate the evolution of properties during the curing …


Treating Contaminated Water: Predicting Reactivities Of Aqueous Organic Contaminants With Hydrated Electrons, And Development Of A Biogarden To Manage Greywater Discharge In Monteverde, Costa Rica, Rose C. Daily Jan 2023

Treating Contaminated Water: Predicting Reactivities Of Aqueous Organic Contaminants With Hydrated Electrons, And Development Of A Biogarden To Manage Greywater Discharge In Monteverde, Costa Rica, Rose C. Daily

Dissertations, Master's Theses and Master's Reports

Advanced reduction processes (ARPs) that generate highly reactive solvated electrons (e-aq) are a promising method for the destruction of conventional and emerging aqueous organic contaminants. While there is a large database of contaminant reactivity with e-aq in the literature, there is little information on the detailed elementary mechanisms for reduction of multifunctional group compounds and the impact of those functional groups on reactivity. As it is difficult to determine specific mechanisms through experiments and time consuming to measure reactivity, the development of computational approaches to elucidate mechanisms and predict reactivity is becoming increasingly important. In …


Has Bollywood Lost The Plot? Analyzing The Influence Of Item Songs On Rape Culture In India, Donna Susan Mathew Jan 2023

Has Bollywood Lost The Plot? Analyzing The Influence Of Item Songs On Rape Culture In India, Donna Susan Mathew

Dissertations, Master's Theses and Master's Reports

An item song is a provocative musical song and dance sequence that appears in Bollywood films that have little to no connection to the film’s plot, performed by an item girl for the male gaze. Contemporary Bollywood item songs have become highly contested social and political texts in the discourse surrounding rape culture in India. This research explores the socio-cultural context of rape culture in India and examines what makes item songs a popular and acceptable form of entertainment in a patriarchal, conservative society where sexualized violence against women is a major cause for concern.

The study also addresses the …


Collagen V Promotes Fibroblast Contractility, And Adhesion Formation, And Stability, Shaina P. Royer-Weeden Jan 2023

Collagen V Promotes Fibroblast Contractility, And Adhesion Formation, And Stability, Shaina P. Royer-Weeden

Dissertations, Master's Theses and Master's Reports

Ehlers-Danlos syndrome, classical type, (cEDS) is a hereditary connective tissue disorder causing excessive elasticity and fragility of the connective tissue and problems with wound healing. Most cases of cEDS are caused by haploinsufficiency for collagen V. Collagen V regulates collagen fibril diameter. In cEDS fibroblast migration is impaired and integrin expression is altered.

The effects of collagen V on collagen gel ultrastructure and how it alters its mechanical properties were measured using scanning electron microscopy (SEM) and rheology respectively. Fibroblast contractility and adhesion dynamics were investigated to better understand the role of fibroblast disfunction in wound healing in cEDS. To …


Design And Implementation Of A Graphql Mesh Gateway: Federating Api Endpoints Based On A Defined Data Model, Marcus D. Scese Jan 2023

Design And Implementation Of A Graphql Mesh Gateway: Federating Api Endpoints Based On A Defined Data Model, Marcus D. Scese

Dissertations, Master's Theses and Master's Reports

This paper introduces the GraphQL Mesh federated API (Application Programming Interface) gateway project, a comprehensive initiative implemented using GraphQL Mesh to solve data related issues within the USW-DSS (Undersea Warfare - Decision Support System). The project contributes to the evolving discourse on the pivotal role of Data Fabrics and Data Meshes in dismantling the barriers imposed by digital data silos. The project is a collaboration between researchers at Michigan Technological University, and engineers at ARiA (Applied Research in Acoustics LLC). The aim of the project is to resolve difficulties in understanding a large collection of API endpoints. By navigating the …


Two Research Perspectives On Sugar Maple Canopy Dieback In The Upper Great Lakes: A Decade Of Herbaceous Community Responses And A Survey Of Michigan Forest Managers, Manuel Eduardo Anderson Jan 2023

Two Research Perspectives On Sugar Maple Canopy Dieback In The Upper Great Lakes: A Decade Of Herbaceous Community Responses And A Survey Of Michigan Forest Managers, Manuel Eduardo Anderson

Dissertations, Master's Theses and Master's Reports

Sugar maple canopy dieback has been reported in the upper Great Lakes since the mid-2000s. This thesis builds on research conducted to determine some of the underlying causes of canopy dieback, which include invasive earthworm impacts, with a view toward adaptations in management of northern hardwood forests in our region. The first chapter reports a study of understory communities in a subsection of forest health monitoring plots located in four national forests near Lake Superior. Based on plot assessments from 2010 and 2021, responses of plant community composition and traits to earthworm impacts and sugar maple canopy dieback were explored. …


Nanomaterials For Cardiovascular Engineering, Roya Bagheri Jan 2023

Nanomaterials For Cardiovascular Engineering, Roya Bagheri

Dissertations, Master's Theses and Master's Reports

Cardiovascular diseases and disorders (i.e., those related to heart and blood vessels) are the main reasons for mortality worldwide. Nanomaterials, with their unique morphologies and properties, have a great potential for advancing cardiovascular engineering to treat diseases and disorders. In this dissertation, several cardiovascular applications of conductive nanomaterials were investigated. First, a conductive nanomaterial was explored to fabricate biohybrid nanomaterial-cardiomyocyte (CM – heart muscle cell) systems. Using Carbon Nanotube (CNT) forest as a 3D porous and conductive scaffold was investigated. The influence of the CNT forest on the viability, attachment, and spreading of CMs and their genetic information was …


Supporting Team Innovation With Design Thinking Cognitive Strategies, Lisa M. Casper Jan 2023

Supporting Team Innovation With Design Thinking Cognitive Strategies, Lisa M. Casper

Dissertations, Master's Theses and Master's Reports

Innovation is a 21st-century skill needed to design new systems, solve challenging problems, and develop novel solutions. Design Thinking (DT) is a tool used to support team innovation. In this experiment, 145 students (47 teams) used one of two DT methods during a semester-long project to come up with an innovative solution to one of the UNESCO 17 sustainable development goals. The key experimental manipulation was during the DT Ideate phase where teams brainstormed potential solutions. Teams either used a baseline DT Ideate strategy or an expanded one with additional prompts during a 10-minute period. Results indicated that teams using …


Multilevel Computational Investigation Into The Catalytic Mechanisms Of Matrix Metalloproteinase-1 And Fat Mass And Obesity-Associated Enzyme, Ann Varghese Jan 2023

Multilevel Computational Investigation Into The Catalytic Mechanisms Of Matrix Metalloproteinase-1 And Fat Mass And Obesity-Associated Enzyme, Ann Varghese

Dissertations, Master's Theses and Master's Reports

Enzymes are biological macromolecules, typically proteins, that efficiently accelerate the rate of chemical reactions. Their remarkable catalytic power plays a vital role in essential processes across all kingdoms of life. Nowadays, computational chemistry methods provide valuable insights into enzymatic functions aiding our understanding of biological processes and providing advancements in fields such as biomedical sciences, biomimetic catalysis, drug design and biotechnology. This dissertation employs multilevel computational chemistry methods to investigate the structure-function relationships and the catalytic mechanisms of two metalloenzymes -Zn(II)-dependent matrix metalloproteinase-1 (MMP-1) and non-heme Fe(II)/2-oxoglutarate (2OG) dependent fat-mass and obesity-associated (FTO) enzyme. Chapter 2 explores the role of …


The Hidden Role Of The “Co-” Paradigm In The Conceptualization And Application Of Living Labs, Madelina E. Dilisi Jan 2023

The Hidden Role Of The “Co-” Paradigm In The Conceptualization And Application Of Living Labs, Madelina E. Dilisi

Dissertations, Master's Theses and Master's Reports

In the past two decades, the living lab has emerged as an innovative approach for addressing a wide range of issues. Living labs challenge traditional top-down research and development approaches in an array of subjects including climate change and sustainability, healthcare, information communication technology, and urban planning. Despite their growth, the current conceptualization of living labs is incomplete. The conceptual ambiguity surrounding living labs prevents researchers and practitioners from appreciating their true value, limitations, and appropriate applications. My thesis builds on Dekker et al.’s (2020) living lab research by including key concepts from the “co” paradigm literature that includes the …


Physical, Optical, And Chemical Properties Of Light Absorbing Aerosols And Their Climatic Impacts, Susan Mathai Jan 2023

Physical, Optical, And Chemical Properties Of Light Absorbing Aerosols And Their Climatic Impacts, Susan Mathai

Dissertations, Master's Theses and Master's Reports

Aerosols are particles suspended in the atmosphere; they are emitted during natural phenomena such as dust storms, wildfires, and volcanic eruptions, and during anthropogenic activities like household wood burning, vehicles operations, and industrial productions, or they can form in the atmosphere from gas to particle partition. Aerosols impact earth’s weather and climate by absorbing and scattering the incoming solar and the outgoing earth thermal radiation and interacting with clouds. The optical properties of aerosols evolve as the chemical and physical properties vary during their residence in the atmosphere. In addition, the aerosols’ properties strongly depend on the vertical distribution in …


A Search For Compact Object Dark Matter In The Universe Utilizing Gravitational Millilensing Of Gamma-Ray Bursts, Oindabi Mukherjee Jan 2023

A Search For Compact Object Dark Matter In The Universe Utilizing Gravitational Millilensing Of Gamma-Ray Bursts, Oindabi Mukherjee

Dissertations, Master's Theses and Master's Reports

In this dissertation, I explore the existence of Compact Object (CO) Dark Matter (DM), examining its predicted millilensing impact on the light curves of Gamma-Ray Bursts (GRBs). The hypothesis under investigation is that if CO DM exists, it will act as a gravitational lens, influencing light emanating from GRBs and creating a measurable gravitational echo. The detection of this echo is conditional on several factors, including the spatial alignment of the observer, lens, and source and the mass of the CO DM.

Recent studies have reported the potential detection of millilensing in several GRBs, including GRB 950830, GRB 081122A, GRB …


Novel Bayesian Neural Networks And Uncertainty Quantification Of Computational Mechanics Models, Ponkrshnan Thiagarajan Jan 2023

Novel Bayesian Neural Networks And Uncertainty Quantification Of Computational Mechanics Models, Ponkrshnan Thiagarajan

Dissertations, Master's Theses and Master's Reports

Computational and data-driven models suffer from a wide range of uncertainties that impact the reliability of such models. Given the exponential proliferation of machine learning models in real-world systems, establishing a degree of confidence in their predictions becomes paramount. Reliability in predictions takes on utmost significance in domains such as autonomous driving, medical image analysis, etc., where human lives are involved, and inaccuracies in predictions could lead to disastrous outcomes. For these reasons, comprehending and quantifying uncertainties in computational and data-driven models is of utmost importance. A number of techniques have been developed to quantify uncertainties in machine learning models. …


On Examining Solvation And Dielectric Constants Of Polar And Ionic Liquids Using The Stockmayer Fluid Model, Cameron J. Shock Jan 2023

On Examining Solvation And Dielectric Constants Of Polar And Ionic Liquids Using The Stockmayer Fluid Model, Cameron J. Shock

Dissertations, Master's Theses and Master's Reports

We develop Stockmayer fluid (SF) models to predict and analyze dielectric properties of polar solvents, ionic liquids, and polyermized ionic liquids. A Stockmayer fluid treats molecules as simple Lennard-Jones spheres with dipole moments and point charges. With this model we calculate the solvation energies of 26 ions in 7 polar solvents and compare with experiment. There is qualitative agreement and we find that the SF model can account for the effects of dielectric saturation, which the commonly used Born solvation energy equation lacks. We also calculate the dielectric constants of these 7 solvents and find quantitative agreement with experiment. We …