Physical Sciences and Mathematics Commons^™

Quantics Tensor Trains: The Study Of A Continuous Lattice Model And Beyond, Aleix Bou Comas

Dissertations, Theses, and Capstone Projects

This four-chapter dissertation studies the efficient discretization of continuous variable functions with tensor train representation. The first chapter describes all the methodology used to discretize functions and store them efficiently. In this section, the algorithm tensor renormalization group is explained for self-containment purposes. The second chapter centers around the XY model. Quantics tensor trains are used to describe the transfer matrix of the model and compute one and two-dimensional quantities. The one dimensional magnitudes are compared to analytical results with an agreement close to machine precision. As for two dimensions, the analytical results cannot be computed. However, the critical temperature …

A Causal Inference Approach For Spike Train Interactions, Zach Saccomano

Dissertations, Theses, and Capstone Projects

Since the 1960s, neuroscientists have worked on the problem of estimating synaptic properties, such as connectivity and strength, from simultaneously recorded spike trains. Recent years have seen renewed interest in the problem coinciding with rapid advances in experimental technologies, including an approximate exponential increase in the number of neurons that can be recorded in parallel and perturbation techniques such as optogenetics that can be used to calibrate and validate causal hypotheses about functional connectivity. This thesis presents a mathematical examination of synaptic inference from two perspectives: (1) using in vivo data and biophysical models, we ask in what cases the …

Making Sense Of Making Parole In New York, Alexandra Mcglinchy

Dissertations, Theses, and Capstone Projects

For many individuals incarcerated in New York, the initial step toward freedom begins with an interview with the Board of Parole. This process, however, is frequently a complex and challenging one, characterized by repeated denials and extended incarcerations. The disparity in outcomes – where one individual may receive over 20 denials and another is granted parole on their first attempt – highlights the ambiguity and inconsistency in the parole decision-making process. This project aims to clarify the factors that influence parole decisions by concentrating on measurable variables. These include age, race, duration of sentence served, proportion of sentence served, type …

Clustering Of Patients With Heart Disease, Mukadder Cinar

Dissertations, Theses, and Capstone Projects

Heart disease, a leading cause of mortality worldwide, presents complex challenges in public health due to its varied manifestations. Accurate diagnosis and patient stratification are essential for effective management and improved outcomes. In response, this study employed machine learning techniques to analyze heart disease data obtained from UCI Machine Learning Repository, aiming to enhance patient care through advanced data analysis.

The study began with the application of K-Nearest Neighbors (KNN) classification, which categorized patients into 'Disease' and 'No Disease' groups. This preliminary step provided initial insights into the structure of the dataset. Subsequently, K-means clustering was applied in two rounds, …

What Does One Billion Dollars Look Like?: Visualizing Extreme Wealth, William Mahoney Luckman

Dissertations, Theses, and Capstone Projects

The word “billion” is a mathematical abstraction related to “big,” but it is difficult to understand the vast difference in value between one million and one billion; even harder to understand the vast difference in purchasing power between one billion dollars, and the average U.S. yearly income. Perhaps most difficult to conceive of is what that purchasing power and huge mass of capital translates to in terms of power. This project blends design, text, facts, and figures into an interactive narrative website that helps the user better understand their position in relation to extreme wealth: https://whatdoesonebilliondollarslooklike.website/

The site incorporates …

Trees In Urban Environments: How Soil Quality Impacts Tree Performance, Saidan Qi

Dissertations, Theses, and Capstone Projects

Cities around the world are increasingly investing in reforestation and afforestation efforts to mitigate impacts from climate change and population growth. However, urban soil conditions can be unfavorable for tree growth. Street trees are widely known to suffer from poor soil quality, but there has been no comprehensive review of this topic so far. Clean soils can be transported from nonurban areas to support cities’ green projects, but this approach is not sustainable. Artificial (constructed) soils can be created from various materials and have been proposed as an alternative medium for urban tree growth, but no research has been done …

Examining The Health Risks Of Particulate Matter 2.5 In New York City: How It Affects Marginalized Groups And The Steps Needed To Reduce Air Pollution, Freddy Castro

Dissertations, Theses, and Capstone Projects

The following examines the impact of particulate matter 2.5 (PM2.5) on public health, focusing on its sources and effects on vulnerable populations in New York City. PM2.5 is a particle that is 2.5 micrometers or less in diameter and, because of its size, can enter the bloodstream affecting the respiratory and cardiovascular systems and further complicating the health of the immunocompromised. Recent studies have shown that PM2.5 can come from various sources, including transportation and industrial emissions, as well as indoor sources like cigarettes and gas-operated stoves. Despite reduced levels of PM2.5 due to recent policy changes and initiatives taken …

Studies Of Oxidopyrylium Ylide Dimers And Their Utility In The Synthesis Of Densely Functionalized Troponoids, Daniel V. Schiavone

Dissertations, Theses, and Capstone Projects

Herein, we describe our efforts to investigate mechanistic considerations of oxidopyrylium ylides and their use in cycloadditions to form complex bicyclic structures and the advancement of these cycloadducts to the synthesis of densely functionalized tropolones. This work also describes applications of tropolones as biologically relevant structures and dynamic fluorophores.

In Chapter 1, we expand upon previous studies done in the Murelli Lab describing the ability of 3-hydroxy-4-pyrone derived oxidopyrylium dimers to revert back to ylides in situ and as result can be used as a clean oxidopyrylium ylide source in accessing oxabicyclic compounds. Intermolecular cycloadditions of these ylides can be …

Rational Design Of Peptide-Based Materials Informed By Multiscale Molecular Dynamics Simulations, Dhwanit Rahul Dave

Dissertations, Theses, and Capstone Projects

The challenge of establishing a sustainable and circular economy for materials in medicine and technology necessitates bioinspired design. Nature's intricate machinery, forged through evolution, relies on a finite set of biomolecular building blocks with through-bond and through-space interactions. Repurposing these molecular building blocks requires a seamless integration of computational modeling, design, and experimental validation. The tools and concepts developed in this thesis pioneer new directions in peptide-materials design, grounded in fundamental principles of physical chemistry. We present a synergistic approach that integrates experimental designs and computational methods, specifically molecular dynamics simulations, to gain in-depth molecular insights crucial for advancing the …

Stereospecific Cross-Coupling Reactions Of Vinyl Triflates And An Investigation Of The Synthesis And Reactivity Of Activated Alkyltricyclohexylstannanes, Pejman Ghaemimohammadi

Dissertations, Theses, and Capstone Projects

Organic chemistry exists in all aspects of everyday life from polymers to pharmaceutics. Formation of carbon-carbon bonds is essential for the synthesis of complex organic compounds. This goal can be achieved by using transition metal catalysts. Second-row transition metals such as Pd, Pt, Rh, and Ir have shown remarkable efficacy in these reactions. Metal-catalyzed cross-coupling reactions form carbon-carbon bonds between electrophiles and nucleophiles using transition metal catalysts. Pd is mainly used in this reaction.

Transition metal-catalyzed cross-coupling reactions that form a bond between two C(sp²) carbons have been widely studied over the past decades. C(sp²)-C(sp^{3 …}

Exciton Dynamics, Interaction, And Transport In Monolayers Of Transition Metal Dichalcogenides, Saroj Chand

Dissertations, Theses, and Capstone Projects

Monolayers Transition metal dichalcogenides (TMDs) have attracted much attention in recent years due to their promising optical and electronic properties for applications in optoelectronic devices. The rich multivalley band structure and sizable spin-orbit coupling in monolayer TMDs result in several optically bright and dark excitonic states with different spin and valley configurations. In the proposed works, we have developed experimental techniques and theoretical models to study the dynamics, interactions, and transport of both dark and bright excitons.

In W-based monolayers of TMDs, the momentum dark exciton cannot typically recombine optically, but they represent the lowest excitonic state of the system …

Containerization Of Seafarers In The International Shipping Industry: Contemporary Seamanship, Maritime Social Infrastructures, And Mobility Politics Of Global Logistics, Liang Wu

Dissertations, Theses, and Capstone Projects

This dissertation discusses the mobility politics of container shipping and argues that technological development, political-economic order, and social infrastructure co-produce one another. Containerization, the use of standardized containers to carry cargo across modes of transportation that is said to have revolutionized and globalized international trade since the late 1950s, has served to expand and extend the power of international coalitions of states and corporations to control the movements of commodities (shipments) and labor (seafarers). The advent and development of containerization was driven by a sociotechnical imaginary and international social contract of seamless shipping and cargo flows. In practice, this liberal, …

Evaluating The Reliability And Accuracy Of Alchemical Binding Free Energy Methods And Calculations, Fnu Sheenam

Dissertations, Theses, and Capstone Projects

Molecular recognition plays a crucial role in various biological processes, such as enzymatic reactions, signal transduction, and genetic information processing. Investigating how proteins selectively bind to their partners is an active research area, but there is a lack of experimental details on protein structures and interactions in molecular complexes. Computational techniques based on macromolecular structures offer a way to predict protein-ligand interactions and explore their recognition mechanisms. Estimating binding affinities, particularly through alchemical binding free energy calculations, has become valuable in supporting drug discovery. This work introduces new methodologies, utilizing the Alchemical Transfer Method, to address issues like poor convergence …

Deep Learning-Based Human Action Understanding In Videos, Elahe Vahdani

Dissertations, Theses, and Capstone Projects

The understanding of human actions in videos holds immense potential for technological advancement and societal betterment. This thesis explores fundamental aspects of this field, including action recognition in trimmed clips and action localization in untrimmed videos. Trimmed videos contain only one action instance, with moments before or after the action excluded from the video. However, the majority of videos captured in unconstrained environments, often referred to as untrimmed videos, are naturally unsegmented. Untrimmed videos are typically lengthy and may encompass multiple action instances, along with the moments preceding or following each action, as well as transitions between actions. In the …

Modeling Of Covid-19 Clinical Outcomes In Mexico: An Analysis Of Demographic, Clinical, And Chronic Disease Factors, Livia Clarete

Dissertations, Theses, and Capstone Projects

This study explores COVID-19 clinical outcomes in Mexico, focusing on demographic, clinical, and chronic disease variables to develop predictive models. In the binary classification task, the Ada Boost Classifier distinguishes survivors from non-survivors, with age, sex, ethnicity, and chronic medical conditions influencing outcomes. In multiclass classification, the Gradient Boosting Classifier categorizes patients into outcome groups.

Demographic variables, especially age, are crucial for predicting COVID-19 outcomes for both the binary and multiclass classification tasks. Clinical information about previous conditions, including chronic diseases, also holds relevance, especially diabetes, immunocompromise, and cardiovascular diseases. These insights inform public health measures and healthcare strategies, emphasizing …

Towards Sociobiogeochemistry: Critical Perspectives On Anthropogenic Alterations To Soil Nitrogen Chemistry Via U.S. Urban And Suburban Development, Christopher D. Ryan

Dissertations, Theses, and Capstone Projects

The ecological impacts of changes to land use are relevant to concerns about climate change, eutrophication of waterbodies, and reductions in biodiversity. As a foundational component of ecosystem functioning, changes to soil biogeochemistry have significant effects on overall ecosystem health. With cities continuing to grow and develop in extent, the impacts of urbanization and suburbanization on soils are of particular concern. Despite a wide range of natural climatic and geologic conditions, several factors have driven similar patterns of land transformation and management across the United States. In particular, federal initiatives including the Home Owners Loan Corporation, the Federal Housing Administration, …

New Algorithmic Support For The Fundamental Theorem Of Algebra, Vitaly Zaderman

Dissertations, Theses, and Capstone Projects

Univariate polynomial root-finding is a venerated subjects of Mathematics and Computational Mathematics studied for four millenia. In 1924 Herman Weyl published a seminal root-finder and called it an algorithmic proof of the Fundamental Theorem of Algebra. Steve Smale in 1981 and Arnold Schonhage in 1982 proposed to classify such algorithmic proofs in terms of their computational complexity. This prompted extensive research in 1980s and 1990s, culminated in a divide-and-conquer polynomial root-finder by Victor Pan at ACM STOC 1995, which used a near optimal number of bit-operations. The algorithm approximates all roots of a polynomial p almost as fast as one …

Applying Structural Equation Modeling To Better Understand The Relationship Between Stressors, Social Support And Wellbeing In The Lives Of Spouse Dementia Caregivers, Craig Holden

Dissertations, Theses, and Capstone Projects

Applying Structural Equation Modeling to Better Understand the Relationship Between Stressors, Social Support and Wellbeing in the Lives of Spouse Dementia Caregivers considers the utility of Pearlin et al.’s (1990) stress process model in understanding the needs of spouse caregivers. Data were drawn from eight biennial waves of the University of Michigan Health and Retirement Study (HRS) and analyzed using structural equation modeling. The final study sample comprised 774 spouses, average age 73, who were categorized based on Alzheimer’s Disease and Related Dementia (ADRD) and non-ADRD caregiver status. Results showed that for the study sample as a whole, social support …

Nonlinear Processes In Room Temperature Exciton-Polaritons, Prathmesh Deshmukh

Dissertations, Theses, and Capstone Projects

Strong light-matter coupling in solid state systems is an intriguing process that allows one to exploit the advantages of both light and matter. In this context, microcavities have become essential platforms for studying the strong coupling regime, where hybrid light-matter states known as exciton-polaritons form, leading to enhanced light matter interaction, modified material properties, and novel quantum phenomena. In this thesis, we explore the phenomenology of exciton-polaritons in strained TMD microcavities, 2D perovskites, fluorescent proteins and organic dyes encompassing thermalization, polariton lasing, and the observation of nonlinear effects.

Transition metal dichalcogenides (TMDs) have emerged as a remarkable class of two- …

Rotation Period Distributions And Light Curve Morphologies Of Low Mass Stars And Young Associations, Mark Popinchalk

Dissertations, Theses, and Capstone Projects

This dissertation is centered around the rotation periods of low-mass stars and association of young stars. Rotation periods are a link to the age of the star, as they lose angular momentum over time. To understand how this angular momentum evolves requires understanding the rotation period distributions of a range of stellar types and ages. Traditionally, M dwarf stars and young stars were challenging to describe due to their intrinsic faintness and dispersed sky positions respectively. I approached this subject from several directions.

The Role Of Nuclear Quantum Effects In Supercooled Water And Amorphous Ice, Ali H. Eltareb

Dissertations, Theses, and Capstone Projects

Water is one of the most important substances on Earth and plays a fundamental role in numerous scientific and engineering applications. Interestingly, water behaves much differently than other liquids. For example, water shows an anomalous density maximum at 277 K, the solid phase (ice) is less denser than the liquid, and its thermodynamic response functions, such as the specific heat C_P and isothermal compressibility κ_T, also increase anomalously upon cooling. In the glassy state, water can exist in two different forms, low-density and high-density amorphous ice (LDA and HDA). While water has been scrutinized for many centuries, …

Uncertainties In Retrieval Of Remote Sensing Reflectance From Ocean Color Satellite Observations, Eder I. Herrera Estrella

Dissertations, Theses, and Capstone Projects

Ocean Color radiometry uses remote sensing to interpret ocean dynamics by retrieving remote sensing reflectance (𝑅𝑟𝑠) from satellite imagery at different scales and over different time periods. 𝑅𝑟𝑠 spectrum characterizes the ocean color that we observe, and from which we can discern concentrations of chlorophyll, organic and inorganic particles, and carbon fluxes in the ocean and atmosphere. 𝑅𝑟𝑠 is derived from the total radiance at the top of the atmosphere (TOA). However, it only represents up to ten percent of the total signal. Hence, the retrieval of 𝑅𝑟𝑠 from the total radiance at TOA involves the application of atmospheric correction …

Disordered Protein Aggregates Are Linked To Changes In The Histone Post-Translational Modification Landscape In Disease And Non-Disease Models, Samantha Cobos

Dissertations, Theses, and Capstone Projects

Proper protein folding is a delicate balance that is crucial for normal biological function. In mammals, protein misfolding and aggregation leads to loss of function of the original protein while in many cases being associated with neurodegenerative diseases, eventually leading to death of the organism. In yeast however, the aggregated prion state is associated with positive cellular outcomes, and cells can switch between the [PRION+] and [prion-] states. Understanding the factors that lead to changes in prion state conformation in yeast could lead to novel insight into the conditions controlling misfolding by neurodegenerative proteinopathies. We believe that by studying the …

Construction And Performance Optimization Of Bioconjugated Nanosensors For Early Detection Of Breast Cancer And Pro-Inflammatory Diseases, Pooja Gaikwad

Dissertations, Theses, and Capstone Projects

In recent years, nanosensors have emerged as a tool with strong potential in medical diagnostics. Single-walled carbon nanotube (SWCNT) based optical nanosensors have notably garnered interest due to the unique characteristics of their near-infrared fluorescence emission, including tissue transparency, photostability, and various chiralities with discrete absorption and fluorescence emission bands. Additionally, the optoelectronic properties of SWCNT are sensitive to the surrounding environment, which makes them suitable for in vitro and in vivo biosensing. Single-stranded (ss) DNA-wrapped SWCNTs have been reported as optical nanosensors for cancers and metabolic diseases. Breast cancer and cardiovascular diseases are the most common causes of death …

Soundness And Completeness Results For The Logic Of Evidence Aggregation And Its Probability Semantics, Eoin Moore

Dissertations, Theses, and Capstone Projects

The Logic of Evidence Aggregation (LEA), introduced in 2020, offers a solution to the problem of evidence aggregation, but LEA is not complete with respect to the intended probability semantics. This left open the tasks to find sound and complete semantics for LEA and a proper axiomatization for probability semantics. In this thesis we do both. We also develop the proof theory for some LEA-related logics and show surprising connections between LEA-related logics and Lax Logic.

Kinetics Of Photochemical And Mechanochemical Organic Reactions On Surface, Yerzhan Zholdassov

Dissertations, Theses, and Capstone Projects

Solvents used in traditional chemical processes account for a large percentage of reaction mass and waste and can pose significant environmental and health risks. The environmentally friendly nature of mechanochemistry, in addition to other benefits, makes it a promising approach for sustainable chemistry over traditional solvent-based methods. However, it is still not a widely adopted method for performing chemical reactions on an industrial scale. This is partially due to the significant challenge associated with understanding the reaction kinetics under mechanochemical conditions. Many variations of scanning probe lithography (SPL) techniques are able to manipulate the organic molecules with precise control over …

Quantifying Temperature-, Pressure-, And Nuclear Quantum Effects On Hydrophobic And Hydrophilic Water-Mediated Interactions, Justin T. Engstler

Dissertations, Theses, and Capstone Projects

Water-mediated interactions (WMIs) are responsible for diverse processes in aqueous solutions, including protein folding and nanoparticle aggregation. WMI may be affected by changes in temperature and pressure, and hence, they can alter chemical/physical processes that occur in aqueous environments. Traditionally, attention has been focused on hydrophobic interactions while, in comparison, the role of hydrophilic and hybrid (hydrophobic–hydrophilic) interactions have been mostly overlooked. Here, we study the role of T and P on the WMI between nanoscale (i) hydrophobic–hydrophobic, (ii) hydrophilic–hydrophilic, and (iii) hydrophilic–hydrophobic pairs of (hydroxylated/non-hydroxylated) graphene-based surfaces. We find that hydrophobic, hydrophilic, and hybrid interactions are all sensitive to …

Optimization And Application Of Graph Neural Networks, Shuo Zhang

Dissertations, Theses, and Capstone Projects

Graph Neural Networks (GNNs) are widely recognized for their potential in learning from graph-structured data and solving complex problems. However, optimal performance and applicability of GNNs have been an open-ended challenge. This dissertation presents a series of substantial advances addressing this problem. First, we investigate attention-based GNNs, revealing a critical shortcoming: their ignorance of cardinality information that impacts their discriminative power. To rectify this, we propose Cardinality Preserved Attention (CPA) models that can be applied to any attention-based GNNs, which exhibit a marked improvement in performance. Next, we introduce the Directional Node Pair (DNP) descriptor and the Robust Molecular Graph …

Centrality Effects On Heavy-Flavor Quark Production And Invariant Yield In Phenix Proton–Gold Collisions At Center-Of-Mass Energy 200 Gev, And Assembly, Testing, Calibration, And Installation Of The Sphenix Hadronic Calorimeters, Daniel Richford

Dissertations, Theses, and Capstone Projects

Hadrons created in heavy-ion collisions interact with the open color-charge of the quark-gluon plasma through their constituent quarks. The medium imparts substantial modifications to heavy-flavor hadrons' momentum spectra. For collisions of small systems, the centrality of those collisions affects both the production of heavy-quarks and the medium modifications that the heavy-quarks experience. This analysis uses the PHENIX detector at the Relativistic Heavy Ion Collider, which collected data from proton--gold collisions in 2015, with a trigger to preference the collection of the five-percent most-central collisions. This analysis uses the distance-of-closest-approach of electron tracks to study semileptonic decays from charm and bottom …

Stereospecific Cross-Coupling Reactions With Enantioenriched Electrophiles, Iv Kraja

Dissertations, Theses, and Capstone Projects

We have developed a novel palladium-catalyzed stereospecific C(sp³)–C(sp³) Stille cross-coupling reaction between carbastannatrane nucleophiles and α-(trifluoromethyl) benzylic tosylates. This constitutes the first example of a stereospecific C(sp³)–C(sp³) cross-coupling reaction using an enantioenriched electrophile and an alkyltin nucleophile. This system has the potential to be extended to cross-coupling reactions using configurationally stable enantioenriched nucleophiles, thus enabling stereochemical control of two newly formed contiguous stereocenters. Generating enantioenriched α-(trifluoromethyl) benzylic compounds also has importance in pharmaceutical and agrochemical industries.

Through the development of this reaction, our findings show that the addition …