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American Officer Administration Development And Its Effects On Conduct, 1900-1970, David R. Burford Aug 2025

American Officer Administration Development And Its Effects On Conduct, 1900-1970, David R. Burford

Theses and Dissertations

The 1970 U.S. Army War College Study on Military Professionalism concluded that officers were so obsessed with demonstrating loyalty, deference to authority, and promotion that they seemed to sacrifice their personal integrity. The findings shocked high-ranked Army officials. The detailed legislative history of Army officer administration from roughly 1900 to 1970 presented in this dissertation shows why and how these conditions came to exist. In nine chapters, the material revealed in magazines, periodicals, student research papers, statements at congressional debates, hearings and investigations, and various official and unofficial publications narrate the development of the post-World War II American officer governance …


Winter Waterfowl Forage Production In Managed Coastal Wetlands Of The South Atlantic Region: Improving Inputs For Bioenergetics Modeling Used In Regional Conservation Planning, Stephen Andrew Clements Aug 2025

Winter Waterfowl Forage Production In Managed Coastal Wetlands Of The South Atlantic Region: Improving Inputs For Bioenergetics Modeling Used In Regional Conservation Planning, Stephen Andrew Clements

Theses and Dissertations

Under the assumption that food is limiting to non-breeding waterfowl, Migratory Bird Joint Ventures frequently use daily-ration bioenergetics models to inform wetland conservation objectives. Two essential components of these models include estimates of energy supply (i.e., energetic density) of wetlands used by waterfowl and accurate spatial data layers to determine wetland area. Managed impoundments are important wetland resources for migrating and wintering waterfowl in the South Atlantic Region. However, there is little understanding of the energetic density available to waterfowl in these wetlands regionally, and until recently, a database of digitized impoundments was unavailable for developing a spatial data layer. …


Edna Surveillance And Population Genomics Of The Invasive Loaches Introduced To The United States, Tobin J. Davidson Aug 2025

Edna Surveillance And Population Genomics Of The Invasive Loaches Introduced To The United States, Tobin J. Davidson

Theses and Dissertations

Invasive species represent a growing threat to the ecosystems and economies of the United States. The southeastern United States is an aquatic biodiversity hotspot, and the decline of multiple native species already facing extinction is attributed to a rapidly growing number of nonindigenous freshwater fishes. Next-generation sequencing was used to analyze the population genomics of several populations of Pond Loach (Misgurnus anguillicaudatus) introduced to the United States. Three evolutionarily significant units of Misgurnus loaches were found, suggesting the invasion of multiple different species in the United States. Additionally, noninvasive environmental DNA (eDNA) protocol designed for early detection of invasive freshwater …


Ex Vivo Evaluation Of Polyethylene Cable Compared To Stainless Steel Cerclage Wire In A Canine Fracture Model, Seila Natasha Day Aug 2025

Ex Vivo Evaluation Of Polyethylene Cable Compared To Stainless Steel Cerclage Wire In A Canine Fracture Model, Seila Natasha Day

Theses and Dissertations

A long oblique osteotomy model was created using paired canine cadaveric femurs. The osteotomies were stabilized with either three ultra-high molecular weight polyethylene (UHMWPE) cables (n=10) or three 18 gauge stainless steel loop cerclage wires (n=10). Cyclic testing was performed in four-point bending by applying increasing force at 2 Hz until construct failure, defined as ≥2mm of actuator displacement. Data analyzed included cycles to failure, load at failure, and dynamic stiffness. There was no statistically significant difference in any of the outcomes tested between constructs. Visible loosening was noted in all loop cerclage constructs. No visible loosening of the UHMWPE …


Measuring Emotional Biases In Attention And Memory In Individuals Who Fear Happiness, Michael R. Gallagher Aug 2025

Measuring Emotional Biases In Attention And Memory In Individuals Who Fear Happiness, Michael R. Gallagher

Theses and Dissertations

A central goal in contemporary clinical science is to measure emotionally driven factors of psychopathology through cognitive experimental methods. However, limitations in previous experimental paradigms have led to a lack of sensitivity and reliability in measuring the biased processing of positive and negative information. Additionally, these biases have not been investigated in individuals who fear happiness. Therefore, this study examined the unique relations between attention and memory biases of emotional stimuli and fear of happiness scores. A more sensitive experimental paradigm tracked eye positions while participants viewed faces over time to measure tendencies to attend to emotional content. A memory …


Towards Applying Artificial Intelligence To Solve Np-Complete Problems Using Quantum Computing, Andrew Robert Haverly Aug 2025

Towards Applying Artificial Intelligence To Solve Np-Complete Problems Using Quantum Computing, Andrew Robert Haverly

Theses and Dissertations

This dissertation explores the methodology for more thoroughly entangling artificial intelligence and quantum computing. This is explored through a background search of problems solved using Grover’s quantum algorithm, a new quantum protein folding and drug discovery algorithm, using Grover’s algorithm to train quantum artificial neural networks, using quantum artificial neural networks for reinforcement learning, mapping classical assembly instructions to quantum circuits to make quantum programming easier, and using prompt engineering to get a classical artificial intelligence agent to solve an NP-Complete problem using a Grover’s algorithm. This method not only simplifies the creation of algorithms but also opens new avenues …


Strategic Use Of Exogenous Feed Enzymes And Sodium Bisulfate To Optimize Broiler Production, Spencer Thomas Karn Aug 2025

Strategic Use Of Exogenous Feed Enzymes And Sodium Bisulfate To Optimize Broiler Production, Spencer Thomas Karn

Theses and Dissertations

Poultry producers must continually evaluate nutritional strategies to enhance broiler performance and sustainability. Chapter II assessed sodium bisulfate (SB) applied to litter, feed, and water across a 42-day grow-out. Applying SB to litter reduced pH, while 0.3% and 0.4% dietary SB improved feed conversion ratio (FCR). Water acidification with SB during the final week did not impair performance, supporting its use as a preharvest intervention. Chapter III evaluated phytase at 500, 1500, and 2000 FTU/kg, with or without protease, in reduced amino acid diets over 56 days. Birds fed a nutrient-adequate diet with 1500 FTU/kg phytase outperformed all reduced-amino acid …


Spray Characterization And Fuel Property Analysis Of Tier 3 Gasoline In A Gdi System Using Machine Learning, Kyungwon Lee Aug 2025

Spray Characterization And Fuel Property Analysis Of Tier 3 Gasoline In A Gdi System Using Machine Learning, Kyungwon Lee

Theses and Dissertations

This study investigates the spray behavior of Tier 3 gasoline in gasoline direct injection engines using experimental methods. Tier 3 gasoline, formulated with lower sulfur content, enhances aftertreatment system efficiency and supports cleaner combustion. A comparative fuel property analysis between Tier 3 gasoline and PACE-20, surrogate fuel, was conducted to understand compositional effects on spray. A constant volume spray chamber and optical diagnostics, including diffuse back-illumination extinction, Schlieren, microscopic, and 3D CT reconstruction imaging, were used to examine spray morphology under varying injection conditions. Key spray parameters such as liquid volume fraction, projected liquid volume, droplet size, and cone angle …


Finite Element Modeling Of Plasma Membrane Injury From Mechanical Stress: A Combined Finite Element And Machine Learning Approach, Eric Flynn Mabowitz Aug 2025

Finite Element Modeling Of Plasma Membrane Injury From Mechanical Stress: A Combined Finite Element And Machine Learning Approach, Eric Flynn Mabowitz

Theses and Dissertations

Low back pain is a leading cause of disability across a wide range of occupations and environments. Exposure to whole-body vibration (WBV) has been linked to an increased prevalence of low back pain, as well as certain neurophysiological complications. While current understanding of WBV effects is largely based on tissue- and whole-body-level studies, a significant gap remains in knowledge regarding how vibrational forces propagate through individual cells. This knowledge gap limits a comprehensive understanding of how these forces affect the human body at the microscopic level. To address this, the present study employs both two-dimensional (2D) and three-dimensional (3D) finite …


Exploring The Use Of A Random Forest In Correcting Gfs Tropical Cyclone Landfall Errors, Victoria Grace Maxwell Aug 2025

Exploring The Use Of A Random Forest In Correcting Gfs Tropical Cyclone Landfall Errors, Victoria Grace Maxwell

Theses and Dissertations

While Tropical Cyclone (TC) track forecasting has improved over the years it has been slow. These improvements can be attributed to increased computer capability and better model inputs. Machine learning has been used for forecasting different TC track and intensity. The study here looks to use a Random Forest to predict the TC latitude/longitude “landfall” at 72-hr and quantify improvements to the GFS forecast. Principal Component Analysis was used to reduce the dimensionality of the meteorological variables. Stepwise regression was used to determine the principal components that were important for forecasting landfall. These variables were then tested with a multivariate …


Transforming Movement Assessment In Physical Therapy Through Subaquatic Data Collection, Kaitlyn Mcdonald Aug 2025

Transforming Movement Assessment In Physical Therapy Through Subaquatic Data Collection, Kaitlyn Mcdonald

Theses and Dissertations

This study explored the interest and perceived barriers to integrating subaquatic diagnostic technologies (SDTs) into hydrotherapy among licensed physical therapists. Seventeen semi-structured interviews were conducted using a mixed-methods design, with 15 interviews included in the final analysis. Quantitative data were analyzed using chi-square tests, while qualitative responses were coded thematically. Results indicated no statistically significant relationships between SDT interest and career stage or hydrotherapy access, though qualitative data highlighted concerns about cost, limited access, and usability. Despite mixed interest in adoption, participants identified several potential benefits of SDTs, including improved treatment tailoring, increased patient buy-in, and enhanced outcome monitoring. Functional …


Unboxing The Black Box: Graph-Based Interpretability In Transformer Models, Ramak Nassiri Aug 2025

Unboxing The Black Box: Graph-Based Interpretability In Transformer Models, Ramak Nassiri

Theses and Dissertations

This thesis introduces a novel interpretability framework for transformer encoder models by hypothesizing that their internal embedding updates define a state transition system. We propose that transformers implicitly learn token-to-token influence dynamics, which can be analyzed using graph-theoretic methods. To validate this, we construct transition graphs from embedding changes and rank token importance using the PageRank algorithm. We develop two transformer models from scratch: a self-supervised model that incorporates serotype tokens to learn contextualized embeddings, and a supervised model initialized with these embeddings. Cosine similarity analysis of their token influence patterns reveals strong structural alignment, with values exceeding 93%. This …


Augmenting Healthcare Communication: Context-Aware Ai Frameworks For Clinical Decision Support And Automated Summarization, Subash Neupane Aug 2025

Augmenting Healthcare Communication: Context-Aware Ai Frameworks For Clinical Decision Support And Automated Summarization, Subash Neupane

Theses and Dissertations

Healthcare communication is plagued by fragmented medical knowledge, patient misunderstanding of care plans, and clinician burnout from documentation burdens. These inefficiencies cost the U.S. healthcare system over $300 billion annually due to preventable nonadherence and administrative waste [47, 19]. While Artificial Intelligence (AI) technology like Large Language Models (LLMs) offer potential solutions, existing systems fail to deliver personalized, context-aware guidance or automate documentation without sacrificing accuracy. This dissertation addresses these gaps through three novel context-aware AI frameworks such as MedInsight, ClinicSum, and ClinicDuo. MedInsight leverages a multi-source context augmentation approach to synthesize patient centric medical responses by integrating Electronic Health …


Spawning And Rearing Techniques For Improved Production Of White Crappie (Pomoxis Anularis), Matthew E. Nichols Aug 2025

Spawning And Rearing Techniques For Improved Production Of White Crappie (Pomoxis Anularis), Matthew E. Nichols

Theses and Dissertations

White Crappie (Pomoxis annularis) is a popular species, commonly propagated in hatcheries to support fisheries and supplement natural populations during cyclical declines. However, limited information exists regarding the effects of extended broodstock holding periods (>4 weeks), which are critical for enhancing flexibility in hatchery practices. Furthermore, rearing larval-to-juvenile crappie in outdoor ponds would greatly benefit from optimized fertilization and stocking densities to improve growth and survival rates. Additionally, dietary preferences during early life stages remain poorly understood, yet are essential for maximizing production efficiency. This study found holding broodstock for > 6 weeks can significantly reduce fertilization percentages. We also …


Decision-Making And Execution Skill Estimation In Continuous Action Space Domains, Delma I. Nieves-Rivera Aug 2025

Decision-Making And Execution Skill Estimation In Continuous Action Space Domains, Delma I. Nieves-Rivera

Theses and Dissertations

In many real-world domains with continuous action spaces, an agent’s performance is driven by two key factors: its decision-making skill, or ability to select high-quality actions, and its execution skill, or precision in carrying out these actions. However, accurately evaluating these skills, particularly when direct information about the agent’s intentions is unavailable, remains a challenging problem. This research addresses this need by developing a theoretical framework and proposing novel estimation methods to assess both decision-making and execution skills based solely on observable data: executed actions and their associated rewards. The work consists of six core studies focused on developing and …


In Good Times & Bad: Measuring Ambivalence In Custodial Grandparents, Marin Gail Olson Aug 2025

In Good Times & Bad: Measuring Ambivalence In Custodial Grandparents, Marin Gail Olson

Theses and Dissertations

Like other forms of caregivers, custodial grandparents experience both the joys and trials of raising their grandchildren. This culmination of positive and negative feelings is called “caregiver ambivalence." It has only recently been studied in relation to caregiver burden and wellness in the form of caregiver ambivalence theory (CAT). By collecting data from approximately 395 custodial grandparents via an online survey, the current study aimed to test if custodial grandparents’ feelings of burden influence their perceived well-being and if feelings of ambivalence mediate this relation. Implications of this research include identifying areas of strength and growth within custodial grandparents and …


Motivating Factors Leading To Job Satisfaction Of Teacher Assistants And Their Perceptions Of Such, Jon Oswalt Aug 2025

Motivating Factors Leading To Job Satisfaction Of Teacher Assistants And Their Perceptions Of Such, Jon Oswalt

Theses and Dissertations

This research study investigated the role perceptions, motivating factors, and perceptions of job satisfaction from the perspective of elementary teacher assistants. While key in the field of education, research focused on the position of teacher assistant is lacking, suggesting the need for a critical view of the role. A qualitative study was designed to examine the key components of the perceptions of job satisfaction, the motivating factors leading to it, and the perceptions of the position through the lens of the teacher assistant. Five elementary teacher assistants from a single school in a southern state participated in semi-structured interviews. Key …


Developing Site Index Curves And Exploring Growth Efficiency Variation In Longleaf Pine Planted On Marginal Agricultural Land In Georgia, Usa, Jabryan Pegues Aug 2025

Developing Site Index Curves And Exploring Growth Efficiency Variation In Longleaf Pine Planted On Marginal Agricultural Land In Georgia, Usa, Jabryan Pegues

Theses and Dissertations

With the relative success of the Conservation Reserve Program (CRP), there is a considerable amount of longleaf pine (Pinus palustris Mill.) trees planted on marginal agricultural land, with little to no guides for productivity management. This study was conducted in four distinct age classes of longleaf pine plantations at The Jones Center at Ichauway in Southwest Georgia, USA. Most of these stands were commercially thinned in 2014 and some were impacted by Hurricane Michael in 2018. I developed site index equations to represent growth trajectories of these stands while incorporating growth starting from ground level. Additionally, the concept of tree-level …


A Mathematical Theory Of Epitaxial Growth, Brock C. Price Aug 2025

A Mathematical Theory Of Epitaxial Growth, Brock C. Price

Theses and Dissertations

In this dissertation we investigate several PDE models of Epitaxial growth. These models are fourth-order PDE’s featuring exponential nonlinearities as well the p-Laplacian and 1-Laplacian. The presence of the exponential nonlinearity is what provides the main mathematical difficulty. Theexponent in particular does not have enough estimates to guarantee any compactness. Because of this, one has to allow the inclusion of a singular portion to the exponent in the sense of the Lebesgue decomposition theorem. In thefirst chapter weinvestigate a related epitaxial growth, with transition rates of the Metropo lis variety and a linear exponent. The metropolis rates induce an extra …


Unraveling Quantum Properties Of Novel Two-Dimensional Systems Using A First-Principles Approach, Binod Regmi Aug 2025

Unraveling Quantum Properties Of Novel Two-Dimensional Systems Using A First-Principles Approach, Binod Regmi

Theses and Dissertations

We used first-principles density functional theory (DFT) to investigate the structural, electronic, and magnetic properties of an oxygen crystal in a copper slab, a ferrimagnetic electride with highly tunable magnetic anisotropy energy (MAE), and the Fermi surface analysis of different kagome metal phases. The Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional was used in the Vienna ab initio simulation package (VASP) for all these calculations. Because of dimensionality reduction, the electronic properties of copper change significantly at the two-dimensional (2D) scale due to whichwe observe more reconstruction in the geometry of the Fermi surface. Dimensionality reduction also influences charge transport. Moreover, we present …


Feed-Based Strategies To Improve Poultry Production Efficiency, Anna Kathryn Riggs Aug 2025

Feed-Based Strategies To Improve Poultry Production Efficiency, Anna Kathryn Riggs

Theses and Dissertations

The poultry industry continues to make significant strides in efficiency and innovation, particularly through advancements in nutrition. This thesis explores two key areas within broiler nutrition that are essential to supporting sustainable, cost-effective poultry production. First, the potential of a next-generation exogenous carbohydrase enzyme blend containing beta-mannanase and endo-glucanase is investigated when supplemented into reduced-energy, all-vegetable diets based on corn, soybean meal, and corn distillers dried grains with solubles in male broilers over a 42-day grow-out period, including processing (Chapter II). Second, the thesis examines the use of modeling strategies such as cubic, quadratic, kernel and smoothing spline to predict …


The Effectiveness Of Positive Behavioral Interventions And Supports (Pbis) In Title I Secondary Schools, Robyn Rush-Grace Aug 2025

The Effectiveness Of Positive Behavioral Interventions And Supports (Pbis) In Title I Secondary Schools, Robyn Rush-Grace

Theses and Dissertations

Positive Behavioral Interventions and Supports (PBIS) is grounded in behaviorist theories, particularly Skinner's operant conditioning, which suggests that positive reinforcement can shape behavior over time. PBIS uses a tiered system to address student behavior, providing universal support for all students (Tier 1), targeted interventions for students who need more support (Tier 2), and intensive, individualized interventions for the few students who exhibit the most significant behavioral challenges (Tier 3). The literature on PBIS generally supports its effectiveness in reducing office discipline referrals, suspensions, and expulsions, as well as improving student behavior and overall school climate. Research specific to Title 1 …


Advancing Rangeland Vegetation Mapping Through Integrated Uav And Satellite Imagery: A Comparative Machine Learning Framework For Fractional Cover Classification, Nishat Shermin Aug 2025

Advancing Rangeland Vegetation Mapping Through Integrated Uav And Satellite Imagery: A Comparative Machine Learning Framework For Fractional Cover Classification, Nishat Shermin

Theses and Dissertations

This study presents a multi-scale remote sensing framework to classify fractional vegetation cover (FVC) across rangelands by integrating UAV multispectral imagery, LiDAR structural data, and multisource satellite inputs. Four machine learning models, ranging from UAV-only to fused UAV-LiDAR-Sentinel models, were developed and evaluated using Random Forest (RF) and Extreme Gradient Boosting (XGBoost) algorithms. The research was conducted at Martin Ranch, Texas, using Uncrewed Ariel Vehicle (UAV)-collected multispectral imagery, LiDAR-derived canopy height, and Sentinel-1/2 indices. Model 2 (UAV + LiDAR) emerged as the optimal model for balancing accuracy, processing time, and compatibility with ecological simulation tools. This model captures both spectral …


Microbiomics Of Amazonian Fishes And Associations With Human Pathogens (Mycobacterium Ulcerans), Matthew Edwin Scott Aug 2025

Microbiomics Of Amazonian Fishes And Associations With Human Pathogens (Mycobacterium Ulcerans), Matthew Edwin Scott

Theses and Dissertations

The Amazon Rainforest and Guiana Shield are recognized as two of the most biodiverse ecosystems on Earth, particularly when considering macroorganisms. Relatively little attention has been paid to the microbiological diversity within rainforest ecosystems, or to the interactions among macro- and microbiological communities. To this end, I characterized the effects of habitat and host phylogenic parameters on the gut microbiome of freshwater fishes along the coast and within the Approuague River watershed in French Guiana. The results indicate a river continuum effect on the microbial composition of fishes, as well as a similar continuum pattern along the coast of French …


Thermo-Mechanical Advancements For Very High Strength And Ultra High Performance Concretes, Lana Grayson Brown Sisung Aug 2025

Thermo-Mechanical Advancements For Very High Strength And Ultra High Performance Concretes, Lana Grayson Brown Sisung

Theses and Dissertations

Interest in the use of high-strength concrete (HSC) has increased in recent years with demand for improved concrete performance. HSCs are widely associated with high heat of hydration and elusive behavior when exposed to high temperatures commonly occurring in mass structures. The optimization of HSC mixture proportioning is difficult due to a wide variety of constituents that influence thermal and mechanical properties. Additionally, determining in-place properties of mass concrete placements is elusive, and there are currently minimal to no test methods available that are both predictive and a direct measurement of mechanical properties. The objective of this dissertation is to …


Confirmatory Factor Analysis Of The Psychopathic Personality Inventory-Revised: Short Form In College-Attending Emerging Adults, Lydia Stanhope Aug 2025

Confirmatory Factor Analysis Of The Psychopathic Personality Inventory-Revised: Short Form In College-Attending Emerging Adults, Lydia Stanhope

Theses and Dissertations

Psychopathy research stems from the work of Dr. Hervey Cleckley, whose research aided in providing the foundation for psychopathy assessments currently utilized in the field. Several researchers used Cleckley’s framework to further home in on characteristics that are central to psychopathy. Among the primary researchers who adapted the characteristics into their own measures are Robert Hare, Paul Frick, and Scott Lilienfeld; the work of these researchers is what helped lead to the creation of the Psychopathic Personality Inventory-Revised: Short Form (PPI-R: SF). The current study aimed to confirm the two-, three-, and eight-factor models from previous versions of the measure …


Mastering Skills Together: Effects Of Video Modeling On Parent-Implemented Academic Intervention, Chelsea S. Thorpe Aug 2025

Mastering Skills Together: Effects Of Video Modeling On Parent-Implemented Academic Intervention, Chelsea S. Thorpe

Theses and Dissertations

Reading proficiency is a fundamental skill for academic success and long-term developmental outcomes. Yet, despite ongoing efforts to strengthen literacy education, a significant number of students continue to face reading difficulties that hinder comprehension, critical thinking, and overall academic achievement. National data demonstrate the urgency of this issue. The 2024 National Assessment of Educational Progress (NAEP) reported that 40% of fourth-grade students and 33% of eighth-grade students scored below the Basic level in reading, marking the highest rate on record for eighth graders. Early reading challenges can often lead to other academic and psychosocial challenges such as low achievement, low …


An Examination Of Potential Occupational Horizons And Site Integrity Through Site Formation Processes At Aklis, St. Croix, Jesse Weaver Aug 2025

An Examination Of Potential Occupational Horizons And Site Integrity Through Site Formation Processes At Aklis, St. Croix, Jesse Weaver

Theses and Dissertations

The Aklis Site, located in the Sandy Point National Wildlife Refuge on St. Croix, contains both an artifact-dense shell midden and numerous human burials actively eroding into the Caribbean Sea. Here I examine the records and collections from the site through the lens of site formation theory to ask: (1) Are there detectable occupational horizons within the midden?; (2) To what extent have cultural and non-cultural transforms affected the integrity of the midden? and; (3) If detected, are these occupational horizons of sound enough integrity to allow for future radiocarbon dating that might clarify culture chronology for the greater West …


Interatomic Potential Of Multiphase Materials Using Modified Embedded Atom Method (Meam) And Artificial Neural Network (Rann), Henan Zhou Aug 2025

Interatomic Potential Of Multiphase Materials Using Modified Embedded Atom Method (Meam) And Artificial Neural Network (Rann), Henan Zhou

Theses and Dissertations

There is a significant need for computer simulations to explore multiphase materials because of their significance in both industry and research. These simulations are both more efficient and less expensive than many experimental approaches, making them an ideal choice for this purpose. It is possible to use molecular dynamics simulations that make use of the MEAM and RANN interatomic potentials in order to comprehend and characterize the properties, performance, and behavior of materials at the atomic scale of different material phases. In the realms of elements, alloys, and impurities, MEAM can be utilized in a wide variety of applications. Through …


Reactive Molecular Dynamics And Method Development For Applications In Renewable Energy And Sorption Equilibria, Woodrow Wilson Aug 2025

Reactive Molecular Dynamics And Method Development For Applications In Renewable Energy And Sorption Equilibria, Woodrow Wilson

Theses and Dissertations

It is crucial to harness energy from sustainable sources to combat the dwindling nonrenewable feedstocks used to produce everyday commodities and fuels. Liquid-phase heterogeneous catalysis has demonstrated remarkable product selectivity and yields for reactions relevant to biomass valorization under mild operating conditions. However, active site characterization is challenging due to the complex solvated environment and interface. Ground-state first-principles (FP) molecular simulations have provided insights into reactive systems in catalysis. These calculations, however, scale poorly with the number of electrons. Observing atomic motion with molecular dynamics (MD) or sampling static properties with Monte Carlo (MC) simulations at statistically relevant lengths- and …