Atomic, Molecular and Optical Physics Commons^™

Designing Enhanced Nonlinearity In Plasmonic Devices With Epsilon-Near-Zero Films, Kevin Tran Le

Electrical Engineering and Computer Science (MS) Theses

The growing demand for energy-efficient optical information processing motivates compact nonlinear photonic devices that can operate at low power. Silicon photonics is a mature platform for linear optical functions, but nonlinear operation remains challenging because of its weak Kerr response, two-photon absorption at telecommunication wavelengths, and limited compatibility with deeply subwavelength plasmonic confinement. This thesis computationally investigates epsilon-near-zero thin films integrated into plasmonic waveguide architectures as a route toward stronger light–matter interaction in compact nonlinear devices.

Two waveguide geometries are examined: a hybrid metal-insulator-metal plasmonic slab waveguide incorporating an ultrathin indium tin oxide epsilon-near-zero layer (5–50 nm), and a dielectric-loaded …

Simulating Chemiluminescence Spectra Of Oh Radical Using Quantum Dynamical Simulations, Triet M. Cao

Research from the Berry Summer Thesis Institute, 2025

Chemiluminescence is a phenomenon of light emission that occurs when molecules transition from an excited state to the ground state. This phenomenon is widely utilized in applications ranging from quantifying product yields in chemical reactions to biological imaging and atmospheric chemistry studies. It has also been used in many crucial applications in the scarce conditions of heat and electricity, such as light sources for astronomy discovery or deep-sea diving. A notable example of such reactions is combustion, where highly reactive hydroxyl radicals (OH) are products. These radicals exhibit a chemiluminescence spectrum because of the interaction between their ground state and …

Unpaired Virtual Histological Staining Of Tissue From Autofluorescence Using Regularized Cycle-Consistent Adversarial Networks, Zhesi Wen

Theses and Dissertations

We present a regularized CycleGAN with a Dense Residual U-Net to virtually stain autofluorescence images of tissue into H&E-like images. Our method outperforms standard architectures, reduces artifacts, and achieves superior FID scores, enabling efficient, label-free, and accurate digital pathology for unpaired datasets using multi-channel fluorescence inputs.

Effect Of Temperature And Rhenium Content In Precipitates On Dispersion Hardening Of Tungsten, Yulia R. Sharapova, Arseny M. Kazakov, Elena A. Korznikova, Alexandr Zinovev, Dmitry Terentyev, Sergey V. Dmitriev

Karbala International Journal of Modern Science

Tungsten (W) is being developed as a plasma-facing material for fusion reactors, where it is subjected to MeV neutron irradiation, low-energy helium isotope particles, and high temperatures. These conditions lead to the formation of point defects, dislocation loops, voids, and transmutation into rhenium (Re) and osmium (Os), which form precipitates that significantly impact dislocation motion and increase hardness. This study uses molecular dynamics modeling to examine the interaction between an edge dislocation and Re-rich particles of various stoichiometries, specifically coherent bcc-phase particles and noncoherent σ-phase precipitates. Results show that shear stress increases by approximately 20-40% with larger particle size (3-5 …

Design Of Long-Distance Entanglement Distribution Protocols For Quantum Networks, Stav Haldar

LSU Doctoral Dissertations

Future quantum technologies such as quantum communication, quantum sensing, and distributed quantum computation, will rely on networks of shared entanglement between spatially separated nodes. Distributing entanglement between these nodes, especially over long distances, currently remains a challenge, due to limitations resulting from the fragility of quantum systems, such as photon losses, non-ideal measurements, and quantum memories with short coherence times. In the absence of full-scale fault-tolerant quantum error correction, which can in principle overcome these limitations, we should understand the extent to which we can circumvent these limitations. In this work, we provide improved protocols and policies for entanglement distribution …

Implementation Of Python Based High Voltage Tests For Gem Detectors, John Paul Hernandez

Aerospace, Physics, and Space Science Student Publications

The Compact Muon Solenoid, CMS, and other detectors at LHC are in the process of being upgraded for the HL-LHC (High-Luminosity Large Hadron Collider) which will produce more than 5 times the particle interactions than of the current LHC. One upgrade to CMS is the introduction of new GEM detectors (Gaseous Electron Multiplier), GE2/1 and ME0 shown at right are new detectors to CMS and therefore must be tested thoroughly prior to being installed.

Spectral Material Classification Of Orbital Objects - Applying Machine Learning To Visible And Near-Infrared Spectral Scenes, Stephen M. Stumpf

Theses and Dissertations

MSI and HSI techniques allow users to determine the material composition of an object at range. To avoid labor-intensive manual classification, ML is used to determine the most likely material contained in a given pixel of a target image. Previous work primarily focuses on terrestrial applications; this paper extends these techniques into the low-illumination space situational awareness domain, which is of critical importance to national security. HSI datacubes are preprocessed with RL deconvolution as a means of reducing the effects of the optical PSF; then, statistical ML techniques, including k-NN, LDA, QDA, and SVMs are implemented as means of assigning …

Ml-Based Surrogates And Emulators, Tareq Alghamdi, Yaohang Li, Nobuo Sato

College of Sciences Posters

No abstract provided.

Machine Learning Strategies For Potential Development In High-Entropy Driven Nickel-Based Superalloys, Marium Mostafiz Mou

Graduate Theses/Dissertations

In this study, I developed Deep Learning interatomic potentials to model a multi-phase and multi-component system of Ni-based Superalloys. The system has up to three major phase constituents, namely Gamma, Gamma Prime, and Transition-metal rich Carbide. I utilized invariant scalar-based and/or equivariant, tensor-based neural network (NN) approach as implemented in DEEPMD, NEQUIP/ALLEGRO codes, respectively, and Moment Tensor Potential (MTP). For the training and validation sets, I employed the ab-initio molecular dynamics (AIMD) trajectory results and ground state DFT calculations, including the energy, force, and virial database from highly diverse compositions, temperatures, and pressures following a “High Entropy Strategy.” The Deep …

Neutron Interferometry Using A Single Modulated Phase Grating, Ivan J. Hidrovo Giler

LSU Master's Theses

Neutron grating interferometry provides information on phase and small-angle scatter in addition to attenuation. Previously, phase grating moiré interferometers (PGMI) with two or three phase gratings have been developed. These phase-grating systems use the moiré far-field technique to avoid the need for high-aspect absorption gratings used in Talbot-Lau interferometers (TLI) which reduce the neutron flux reaching the detector. We demonstrate through simulations a novel phase grating interferometer system for cold neutrons that requires a single modulated phase grating (MPG) for phase-contrast imaging, as opposed to the two or three phase gratings in previously employed PGMI systems. We compare the MPG …

Atomistic Simulation Of Na+ And Cl- Ions Binding Mechanisms To Tobermorite 14Å As A Model For Alkali Activated Cements, Ahmed Abdelkawy

Theses and Dissertations

The production of ordinary Portland cement (OPC) is responsible for ~8% of all man-made CO2 emissions. Unfortunately, due to the continuous increase in the number of construction projects, and since virtually all projects depend on hardened cement from the hydration of OPC as the main binding material, the production of OPC is not expected to decrease. Alkali-activated cement produced from the alkaline activation of byproducts of industries, such as iron and coal industries, or processed clays represents a potential substitute for OPC. However, the interaction of the reaction products of AAC with corrosive ions from the environment, such as Cl-, …

Coupled Dynamics Of Spin Qubits In Optical Dipole Microtraps: Application To The Error Analysis Of A Rydberg-Blockade Gate, L. V. Gerasimov, R. R. Yusupov, A. D. Moiseevsky, I. Vybornyi, K. S. Tikhonov, S. P. Kulik, S. S. Straupe, Charles I. Sukenik, D. V. Kupriyanov

Physics Faculty Publications

Single atoms in dipole microtraps or optical tweezers have recently become a promising platform for quantum computing and simulation. Here we report a detailed theoretical analysis of the physics underlying an implementation of a Rydberg two-qubit gate in such a system—a cornerstone protocol in quantum computing with single atoms. We focus on a blockade-type entangling gate and consider various decoherence processes limiting its performance in a real system. We provide numerical estimates for the limits on fidelity of the maximally entangled states and predict the full process matrix corresponding to the noisy two-qubit gate. We consider different excitation geometries and …

Modeling Of Argon Bombardment And Densification Of Low Temperature Organic Precursors Using Reactive Md Simulations And Machine Learning, Kwabena Asante-Boahen

Graduate Theses/Dissertations

In this study, an important aspect of the synthesis process for a-BxC:Hy was systematically modeled by utilizing the Reactive Molecular Dynamics (MD) in modeling the argon bombardment from the orthocarborane molecules as the precursor. The MD simulations are used to assess the dynamics associated with the free radicals that result from the ion bombardment. By applying the Data Mining/Machine Learning analysis into the datasets generated from the large reactive MD simulations, I was able to identify and quality the kinetics of these radicals. Overall, this approach allows for a better understanding of the overall mechanism at the atomistic level of …

Characterizing The Vibrational Spectra Of Hydrogen Bonded Systems With Molecular Dynamics Simulations And Quantum Chemical Methods, Dalton Boutwell

Master of Science in Chemical Sciences Theses

We apply and assess the utility of DMD for the purpose of investigating complex spectral features in N₂H⁺···OC, N₂D⁺···OC, C₂O₄H^-, C₂O₄D^- and (HCOOH)₂. The proton transfer as a vibrational motion consists of diffuse qualities that can be accounted for with classical and quantum chemical analyses. Classical approaches yield a wealth of information about vibrational spectra at a reduced cost, as in the case of previously investigated N₄H⁺. The isoelectronic N₂H⁺···OC has …

Can Parallel Gravitational Search Algorithm Effectively Choose Parameters For Photovoltaic Cell Current Voltage Characteristics?, Alan Kirkpatrick

Honors Projects

This study asks the question “Can parallel Gravitational Search Algorithm (GSA) effectively choose parameters for photovoltaic cell current voltage characteristics?” These parameters will be plugged into the Single Diode Model to create the IV curve. It will also investigate Particle Swarm Optimization (PSO) and a population based random search (PBRS) to see if GSA performs the search better and or more quickly than alternative algorithms

Equations Of State For Warm Dense Carbon From Quantum Espresso, Derek J. Schauss

Theses and Dissertations

Warm dense plasma is the matter that exists, roughly, in the range of 10,000 to 10,000,000 Kelvin and has solid-like densities, typically between 0.1 and 10 grams per centimeter. Warm dense fluids like hydrogen, helium, and carbon are believed to make up the interiors of many planets, white dwarfs, and other stars in our universe. The existence of warm dense matter (WDM) on Earth, however, is very rare, as it can only be created with high-energy sources like a nuclear explosion. In such an event, theoretical and computational models that accurately predict the response of certain materials are thus very …

Combining Cryo-Em Density Map And Residue Contact For Protein Secondary Structure Topologies, Maytha Alshammari, Jing He

Computer Science Faculty Publications

Although atomic structures have been determined directly from cryo-EM density maps with high resolutions, current structure determination methods for medium resolution (5 to 10 Å) cryo-EM maps are limited by the availability of structure templates. Secondary structure traces are lines detected from a cryo-EM density map for α-helices and β-strands of a protein. A topology of secondary structures defines the mapping between a set of sequence segments and a set of traces of secondary structures in three-dimensional space. In order to enhance accuracy in ranking secondary structure topologies, we explored a method that combines three sources of information: a set …

Physics-Constrained Hyperspectral Data Exploitation Across Diverse Atmospheric Scenarios, Nicholas M. Westing

Theses and Dissertations

Hyperspectral target detection promises new operational advantages, with increasing instrument spectral resolution and robust material discrimination. Resolving surface materials requires a fast and accurate accounting of atmospheric effects to increase detection accuracy while minimizing false alarms. This dissertation investigates deep learning methods constrained by the processes governing radiative transfer to efficiently perform atmospheric compensation on data collected by long-wave infrared (LWIR) hyperspectral sensors. These compensation methods depend on generative modeling techniques and permutation invariant neural network architectures to predict LWIR spectral radiometric quantities. The compensation algorithms developed in this work were examined from the perspective of target detection performance using …

Quantum Random Walk Search And Grover's Algorithm - An Introduction And Neutral-Atom Approach, Anna Maria Houk

Physics

In the sub-field of quantum algorithms, physicists and computer scientist take classical computing algorithms and principles and see if there is a more efficient or faster approach implementable on a quantum computer, i.e. a ”quantum advantage”. We take random walks, a widely applicable group of classical algorithms, and move them into the quantum computing paradigm. Additionally, an introduction to a popular quantum search algorithm called Grover’s search is included to guide the reader to the development of a quantum search algorithm using quantum random walks. To close the gap between algorithm and hardware, we will look at using neutral-atom (also …

Svat4: A Computer Program For Visualization And Analysis Of Crystal Structures, Xingzhong Li

Nebraska Center for Materials and Nanoscience: Faculty Publications

SVAT4 is a computer program for interactive visualization of three-dimensional crystal structures, including chemical bonds and magnetic moments. A wide range of functions, e.g. revealing atomic layers and polyhedral clusters, are available for further structural analysis. Atomic sizes, colors, appearance, view directions and view modes (orthographic or perspective views) are adjustable. Customized work for the visualization and analysis can be saved and then reloaded. SVAT4 provides a template to simplify the process of preparation of a new data file. SVAT4 can generate high-quality images for publication and animations for presentations. The usability of SVAT4 is broadened by a software suite …

Using Forensics To Introduce Ir Spectroscopy & Molecular Modeling, Joseph T. Golab

Faculty Publications & Research

A student activity is reported that analyzes “medical evidence” with experimental and computational methods. The lesson demonstrates benefits of solving practical problems with integrated tools.

Equilibrium Structures And Thermal Fluctuations In Interacting Monolayers, Emmanuel Rivera

Williams Honors College, Honors Research Projects

Coherency strains appear in interacting atomic monolayers due to differing bond lengths, which can arise from different materials or geometries. Examples include extended monolayers interacting with a substrate and the interacting walls of a multi-walled carbon nanotube. These strains can induce various equilibrium configurations, which we will analyze by means of a phenomenological model that incorporates forces from bond stretching and bending within each layer and the weak van der Waals interactions connecting the separate layers. We vary the strengths of each interaction to explore their effects on equilibrium structures, and the specific case of a two-walled carbon nanotube is …

Computational Modeling Of Radiation Interactions With Molecular Nitrogen, Tyler Reese

Dissertations

The ability to detect radiation through identifying secondary effects it has on its surrounding medium would extend the range at which detections could be made and would be a valuable asset to many industries. The development of such a detection instrument requires an accurate prediction of these secondary effects. This research aims to improve on existing modeling techniques and help provide a method for predicting results for an affected medium in the presence of radioactive materials. A review of radioactivity and the interactions mechanisms for emitted particles as well as a brief history of the Monte Carlo Method and its …

Sampling Complexity Of Bosonic Random Walkers On A One-Dimensional Lattice, Gopikrishnan Muraleedharan, Akimasa Miyake, Ivan Deutsch

Shared Knowledge Conference

Computers based quantum logic are believed to solve problems faster and more efficiently than computers based on classical boolean logic. However, a large-scale universal quantum computer with error correction may not be realized in near future. But we can ask the question: can we devise a specific problem that a quantum device can solve faster than current state of the art super computers? One such problem is the so called "Boson Sampling" problem introduced by Aaronson and Arkhipov. The problem is to generate random numbers according to same distribution as the output number configurations of photons in linear optics. It …

Bipartite Quantum Interactions: Entangling And Information Processing Abilities, Siddhartha Das

LSU Doctoral Dissertations

The aim of this thesis is to advance the theory behind quantum information processing tasks, by deriving fundamental limits on bipartite quantum interactions and dynamics. A bipartite quantum interaction corresponds to an underlying Hamiltonian that governs the physical transformation of a two-body open quantum system. Under such an interaction, the physical transformation of a bipartite quantum system is considered in the presence of a bath, which may be inaccessible to an observer. The goal is to determine entangling abilities of such arbitrary bipartite quantum interactions. Doing so provides fundamental limitations on information processing tasks, including entanglement distillation and secret key …

Designing Novel Nanostructured Permanent Magnets, Ali Al Kadhim

UNO Student Research and Creative Activity Fair

Rare earth element based alloys have been the source of high performance magnetic alloys, and have played a paramount role in the development of various technologies, including: memory devices (such as credit cards, random-access memory), sensors, and various biomedical applications. However, there is a tremendous need to replace rare earth metals with material with powerful magnetic properties. Our group recently found CrTe-based materials that show very promising magnetic properties in nanostructured form. The magnetic modeling of such material in nanostructured form prior to their fabrication demonstrates their magnetic properties in bulk form. In this project, we investigate the behavior of …

The Web Based Monitoring Project At The Cms Experiment, Juan Antonio Lopez-Perez, Kaori Maeshima, William Badgett, Ulf Behrens, Irakli Chakaberia, Youngkwon Jo, Sho Maruyama, James Patrick, Valdas Rapsevicius, Aron Soha, Mantas Stankevicius, Balys Sulmanas, Sachiko Toda, Zongru Wan

Physics Faculty Research

The Compact Muon Solenoid is a large a complex general purpose experiment at the CERN Large Hadron Collider (LHC), built and maintained by many collaborators from around the world. Efficient operation of the detector requires widespread and timely access to a broad range of monitoring and status information. To the end the Web Based Monitoring (WBM) system was developed to present data to users located anywhere from many underlying heterogeneous sources, from real time messaging systems to relational databases. This system provides the power to combine and correlate data in both graphical and tabular formats of interest to the experimenters, …

Spica: Stereographic Projection For Interactive Crystallographic Analysis, Xingzhong Li

Nebraska Center for Materials and Nanoscience: Faculty Publications

In numerous research fields, especially the applications of electron and X-ray diffraction, stereographic projection represents a powerful tool for researchers. SPICA is a new computer program for stereographic projection in interactive crystallographic analysis, which inherits features from the previous JECP/SP and includes more functions for extensive crystallographic analysis. SPICA provides fully interactive options for users to plot stereograms of crystal directions and crystal planes, traces, and Kikuchi maps for an arbitrary crystal structure; it can be used to explore the orientation relationships between two crystalline phases with a composite stereogram; it is also used to predict the tilt angles of …

Force Field Development With Gomc A Fast New Monte Carlo Molecular Simulation Code, Jason Richard Mick

Wayne State University Dissertations

In this work GOMC (GPU Optimized Monte Carlo) a new fast, flexible, and free molecular Monte Carlo code for the simulation atomistic chemical systems is presented. The results of a large Lennard-Jonesium simulation in the Gibbs ensemble is presented. Force fields developed using the code are also presented. To fit the models a quantitative fitting process is outlined using a scoring function and heat maps. The presented n-6 force fields include force fields for noble gases and branched alkanes. These force fields are shown to be the most accurate LJ or n-6 force fields to date for these compounds, capable …

Cms Use Of A Data Federation, Kenneth A. Bloom, C.

Kenneth Bloom Publications

CMS is in the process of deploying an Xrootd based infrastructure to facilitate a global data federation. The services of the federation are available to export data from half the physical capacity and the majority of sites are configured to read data over the federation as a back-up. CMS began with a relatively modest set of use-cases for recovery of failed local file opens, debugging and visualization. CMS is finding that the data federation can be used to support small scale analysis and load balancing. Looking forward we see potential in using the federation to provide more flexibility in the …