Numerical Analysis and Scientific Computing Commons^™

The First Potential Energy Surfaces For The C₆Hˉ-H₂ And C₆Hˉ-He Collisional Systems And Their Corresponding Inelastic Cross Sections, Kyle M. Walker, Fabien Dumouchel, François Lique, Richard Dawes

Chemistry Faculty Research & Creative Works

Molecular anions have recently been detected in the interstellar and circumstellar media. Accurate modeling of their abundance requires calculations of collisional data with the most abundant species that are usually He atoms and H₂ molecules. In this paper, we focus on the collisional excitation of the first observed molecular anion, C₆H^-, by He and H₂. Theoretical calculations of collisional cross sections rely generally on ab initio interaction potential energy surfaces (PESs). Hence, we present here the first PESs for the C₆H^--H₂ and C₆H^--He van …

Multiple Fermi Surfaces In Superconducting Nb-Doped Bi₂Se₃, B. J. Lawson, Paul Corbae, Gang Li, Fan Yu, Tomoya Asaba, Colin Tinsman, Y. Qiu, Julia E. Medvedeva, Yew San Hor, L. Li

Physics Faculty Research & Creative Works

Topological insulator Bi₂Se₃ has shown a number of interesting physical properties. Doping Bi₂Se₃ with copper or strontium has been demonstrated to make the material superconducting and potentially even a topological superconductor. The recent discovery of superconducting niobium-doped Bi₂Se₃ reveals an exciting new physical phenomenon, the coexistence of superconductivity and magnetic ordering, as well as signatures of an odd-parity p-wave superconducting order. To understand this new phenomenon, a detailed knowledge of the electronic structure is needed. We present an observation of quantum oscillations in the magnetization (the de Haas-van Alphen effect) of …

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 …

A Step Towards An Intelligent Digital Training Management System (I-Dtms), Andrew Dugger

Theses and Dissertations

The U.S. Army Digital Training Management System (DTMS) is a web-based system designed to create a single point of entry for units to schedule unit training, manage training resources, and create schedules and master calendars for training. Currently, the U.S. Army uses DTMS to manage unit training and help commanders at each step of the training management process from planning and preparing to execute and assessing the training plans. This research aims to add intelligent features to DTMS through augmenting it with an intelligent decision support system (ITPSS) that utilizes artificial intelligence techniques (case-based reasoning, in particular) to determine if …

Word Clouds With Latent Variable Analysis For Visual Comparison Of Documents, Tuan M. V. Le, Hady W. Lauw

Research Collection School Of Computing and Information Systems

Word cloud is a visualization form for text that is recognized for its aesthetic, social, and analytical values. Here, we are concerned with deepening its analytical value for visual comparison of documents. To aid comparative analysis of two or more documents, users need to be able to perceive similarities and differences among documents through their word clouds. However, as we are dealing with text, approaches that treat words independently may impede accurate discernment of similarities among word clouds containing different words of related meanings. We therefore motivate the principle of displaying related words in a coherent manner, and propose to …

Where Is The Goldmine? Finding Promising Business Locations Through Facebook Data Analytics, Jovian Lin, Richard Oentaryo, Ee-Peng Lim, Casey Vu, Adrian Vu, Agus Kwee

Research Collection School Of Computing and Information Systems

If you were to open your own cafe, would you not want to effortlessly identify the most suitable location to set up your shop? Choosing an optimal physical location is a critical decision for numerous businesses, as many factors contribute to the final choice of the location. In this paper, we seek to address the issue by investigating the use of publicly available Facebook Pages data-which include user "check-ins", types of business, and business locations-to evaluate a user-selected physical location with respect to a type of business. Using a dataset of 20,877 food businesses in Singapore, we conduct analysis of …

Novel Monte Carlo Methods For Large-Scale Linear Algebra Operations, Hao Ji

Computer Science Theses & Dissertations

Linear algebra operations play an important role in scientific computing and data analysis. With increasing data volume and complexity in the "Big Data" era, linear algebra operations are important tools to process massive datasets. On one hand, the advent of modern high-performance computing architectures with increasing computing power has greatly enhanced our capability to deal with a large volume of data. One the other hand, many classical, deterministic numerical linear algebra algorithms have difficulty to scale to handle large data sets.

Monte Carlo methods, which are based on statistical sampling, exhibit many attractive properties in dealing with large volume of …

Machine Learning Methods For Brain Image Analysis, Ahmed Fakhry

Computer Science Theses & Dissertations

Understanding how the brain functions and quantifying compound interactions between complex synaptic networks inside the brain remain some of the most challenging problems in neuroscience. Lack or abundance of data, shortage of manpower along with heterogeneity of data following from various species all served as an added complexity to the already perplexing problem. The ability to process vast amount of brain data need to be performed automatically, yet with an accuracy close to manual human-level performance. These automated methods essentially need to generalize well to be able to accommodate data from different species. Also, novel approaches and techniques are becoming …

Energy Consumption Prediction With Big Data: Balancing Prediction Accuracy And Computational Resources, Katarina Grolinger, Miriam Am Capretz, Luke Seewald

Electrical and Computer Engineering Publications

In recent years, advances in sensor technologies and expansion of smart meters have resulted in massive growth of energy data sets. These Big Data have created new opportunities for energy prediction, but at the same time, they impose new challenges for traditional technologies. On the other hand, new approaches for handling and processing these Big Data have emerged, such as MapReduce, Spark, Storm, and Oxdata H2O. This paper explores how findings from machine learning with Big Data can benefit energy consumption prediction. An approach based on local learning with support vector regression (SVR) is presented. Although local learning itself is …

Optimizing The Mix Of Games And Their Locations On The Casino Floor, Jason D. Fiege, Anastasia D. Baran

International Conference on Gambling & Risk Taking

We present a mathematical framework and computational approach that aims to optimize the mix and locations of slot machine types and denominations, plus other games to maximize the overall performance of the gaming floor. This problem belongs to a larger class of spatial resource optimization problems, concerned with optimizing the allocation and spatial distribution of finite resources, subject to various constraints. We introduce a powerful multi-objective evolutionary optimization and data-modelling platform, developed by the presenter since 2002, and show how this software can be used for casino floor optimization. We begin by extending a linear formulation of the casino floor …

Stationary And Time-Dependent Optimization Of The Casino Floor Slot Machine Mix, Anastasia D. Baran, Jason D. Fiege

International Conference on Gambling & Risk Taking

Modeling and optimizing the performance of a mix of slot machines on a gaming floor can be addressed at various levels of coarseness, and may or may not consider time-dependent trends. For example, a model might consider only time-averaged, aggregate data for all machines of a given type; time-dependent aggregate data; time-averaged data for individual machines; or fully time dependent data for individual machines. Fine-grained, time-dependent data for individual machines offers the most potential for detailed analysis and improvements to the casino floor performance, but also suffers the greatest amount of statistical noise. We present a theoretical analysis of single …

Estimability Tools For Package Developers, Russell V. Lenth

The R Journal

When a linear model is rank-deficient, then predictions based on that model become questionable because not all predictions are uniquely estimable. However, some of them are, and the estimability package provides tools that package developers can use to tell which is which. With the use of these tools, a model object’s predict method could return estimable predictions as-is while f lagging non-estimable ones in some way, so that the user can know which predictions to believe. The estimability package also provides, as a demonstration, an estimability-enhanced epredict method to use in place of predict for models fitted using the stats …

A New Set Of Potential Energy Surfaces For Hco: Influence Of Renner-Teller Coupling On The Bound And Resonance Vibrational States, Steve Alexandre Ndengué, Richard Dawes, Hua Guo

Chemistry Faculty Research & Creative Works

It is commonly understood that the Renner-Teller effect can strongly influence the spectroscopy of molecules through coupling of electronic states. Here we investigate the vibrational bound states and low-lying resonances of the formyl radical treating the Renner-Teller coupled X2A' and Ã2A" states using the MultiConfiguration Time Dependent Hartree (MCTDH) method. The calculations were performed using the improved relaxation method for the bound states and a recently published extension to compute resonances. A new set of accurate global potential energy surfaces were computed at the explicitly correlated multireference configuration interaction (MRCI-F12) level and yielded remarkably close agreement with experiment in this …

Comparison Of Experimental And Theoretical Triple Differential Cross Sections For The Single Ionization Of Co₂ (1Πg) By Electron Impact, Zehra N. Ozer, Esam Ali, Mevlut Dogan, Murat Yavuz, Osman Alwan, Adnan Naja, Ochbadrakh Chuluunbaatar, Boghos B. Joulakian, Chuan-Gang Ning, James Colgan, Don H. Madison

Physics Faculty Research & Creative Works

Experimental and theoretical triple differential cross sections for intermediate-energy (250 eV) electron-impact single ionization of the CO₂ are presented for three fixed projectile scattering angles. Results are presented for ionization of the outermost 1πg molecular orbital of CO₂ in a coplanar asymmetric geometry. The experimental data are compared to predictions from the three-center Coulomb continuum approximation for triatomic targets, and the molecular three-body distorted wave (M3DW) model. It is observed that while both theories are in reasonable qualitative agreement with experiment, the M3DW is in the best overall agreement with experiment.

Experimental And Theoretical Triple-Differential Cross Sections For Tetrahydrofuran Ionized By Low-Energy 26-Ev-Electron Impact, Esam Ali, Xueguang Ren, Alexander Dorn, Chuangang Ning, James Colgan, Don H. Madison

Physics Faculty Research & Creative Works

We report an experimental and theoretical study of low-energy electron-impact ionization of tetrahydrofuran, which is a molecule of biological interest. The experiments were performed using an advanced reaction microscope specially built for electron-impact ionization studies. The theoretical calculations were performed within the molecular three-body distorted-wave model. Reasonably good agreement is found between experiment and theory.

Kinematically Complete Study Of Low-Energy Electron-Impact Ionization Of Argon: Internormalized Cross Sections In Three-Dimensional Kinematics, Xueguang Ren, Sadek Amami, Oleg Zatsarinny, Thomas Pflüger, Marvin Weyland, Alexander Dorn, Don H. Madison, Klaus Bartschat

Physics Faculty Research & Creative Works

As a further test of advanced theoretical methods to describe electron-impact single-ionization processes in complex atomic targets, we extended our recent work on Ne(2p) ionization [X. Ren, S. Amami, O. Zatsarinny, T. Pflüger, M. Weyland, W. Y. Baek, H. Rabus, K. Bartschat, D. Madison, and A. Dorn, Phys. Rev. A 91, 032707 (2015)PLRAAN1050-294710.1103/PhysRevA.91.032707] to Ar(3p) ionization at the relatively low incident energy of E₀ = 66 eV. The experimental data were obtained with a reaction microscope, which can cover nearly the entire 4π solid angle for the secondary electron emission. We present experimental data for detection angles of 10, …

Shear Wave Splitting Analyses In Tian Shan: Geodynamic Implications Of Complex Seismic Anisotropy, Solomon G. Cherie, Stephen S. Gao, Kelly H. Liu, Ahmed A. Elsheikh, Fansheng Kong, Cory A. Reed, Bin B. Yang

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

The Tian Shan is a tectonically complex intracontinental orogenic belt situated between the Tarim Basin and the Kazakh Shield. The vast majority of the previous shear wave splitting (SWS) measurements were presented as station averages, which are only valid when the anisotropy structure can be approximated by a single layer of anisotropy with a horizontal axis of symmetry, i.e., a model of simple anisotropy. A variety of anisotropy-forming hypotheses have been proposed based on the station-averaged measurements. In this study, we measure the splitting parameters at 25 stations that recorded high-quality data from a wide back azimuthal range for the …

Experimental Building Demonstration Model With Viscous Fluid Dampers, Blake Thomas Reeve, Brianna Jean Kufa, Aden Malek Stepanians, Sophie Carmion Ratkovich

Architectural Engineering

The Architectural Engineering major places a heavy emphasis on structural dynamics and the role of wind and seismic loading in building analysis and design. Buildings of high importance that are critical to community function, such as hospitals, often utilize supplemental damping devices like supplemental viscous fluid dampers or base isolators to reduce the overall demands on the structural system. The design and analysis of these dampers are typically not taught at the undergraduate level, and is frequently performed by mechanical engineers, in lieu of structural engineers.

To better understand and research building behavior with supplemental damping devices, our multi-disciplinary team …

Reply To "Comment On 'Classical Description Of H(1s) And H* (N=2) For Cross-Section Calculations Relevant To Charge-Exchange Diagnostics'", N. D. Cariatore, Sebastian Otranto, Ronald E. Olson

Physics Faculty Research & Creative Works

In reply to the Comment of Jorge et al. [Phys. Rev. A 93, 066701 (2016)], we agree and reconfirm that the alternative classical trajectory Monte Carlo method (called hydrogenic-Z-CTMC) radial distributions for H*(n = 2) we recently published are not stable in time. However, we show that such lack of stability which is more noticeable for H(2s) than for H(2p) is due to the initialization procedure employed and not to the hydrogenic-Z-CTMC method itself. A new set of completely stable hydrogenic-Z-CTMC calculations for H*(n = 2) is introduced and found in very good agreement with standard microcanonical results reinforcing our …

Application Of Computer Modeling And Simulation Techniques For Optimization Of Factory Floor Operations In Small To Medium- Sized Businesses, Brian P. Romano

Theses and Dissertations

The rationale and motive for this thesis was to prove that no matter the size of a company and its particular value stream, the application of applied computer science principles with a reliance on computer modeling and simulation onto the factory floor process improves efficiencies and throughput through the reduction of downtime and/or process waiting. This thesis research specifically emphasized small businesses of between $2 and $20 million and was purposely limited to factory floor production processes and utilized standardized applied computer science techniques including simulation and modeling, microprocessor based factory floor intelligence devices. The results of this applied technology …

An Experimental Investigation Of Product Competition And Marketing In Social Networks, Cen Chen, Zhiling Guo, Shih-Fen Cheng, Hoong Chuin Lau

Research Collection School Of Computing and Information Systems

We conduct computational experiment using Facebook data to evaluate competing firms’ initial market seeding and subsequent targeted marketing strategies that influence consumers’ new product adoption decisions. We find that firms generally overspend their advertising budget in the market seeding phase. In the subsequent market advertising phase, a coupon strategy (equivalent to price discount) generally yields higher market share than the strategy of distributing free product samples. The effect is more significant when both price and product quality are low. We offer managerial insights into firms’ effective competition strategies for new product introduction in the presence of consumers’ word of mouth …

How Long Will This Live? Discovering The Lifespans Of Software Engineering Ideas, Subhajit Datta, Santonu Sarkar, A. S. M Sajeev

Research Collection School Of Computing and Information Systems

We all want to be associated with long lasting ideas; as originators, or at least, expositors. For a tyro researcher or a seasoned veteran, knowing how long an idea will remain interesting in the community is critical in choosing and pursuing research threads. In the physical sciences, the notion of half-life is often evoked to quantify decaying intensity. In this paper, we study a corpus of 19,000+ papers written by 21,000+ authors across 16 software engineering publication venues from 1975 to 2010, to empirically determine the half-life of software engineering research topics. In the absence of any consistent and well-accepted …

Contributing To Astropy: A Community Python Library For Astronomers, Asra Nizami

Macalester Journal of Physics and Astronomy

This paper discusses the author’s contributions to two packages affiliated with Astropy, a community Python library for astronomers. The packages the author contributed to were modeling, a sub-package within the core Astropy package, and WCSAxes, an Astropy affiliated package, outside the core package.

Hill's Diagrammatic Method And Reduced Graph Powers, Gregory D. Smith, Richard Hammack

Biology and Medicine Through Mathematics Conference

No abstract provided.

Exploring Data Mining Techniques For Tree Species Classification Using Co-Registered Lidar And Hyperspectral Data, Julia K. Marrs

Theses and Dissertations

NASA Goddard’s LiDAR, Hyperspectral, and Thermal imager provides co-registered remote sensing data on experimental forests. Data mining methods were used to achieve a final tree species classification accuracy of 68% using a combined LiDAR and hyperspectral dataset, and show promise for addressing deforestation and carbon sequestration on a species-specific level.

Applying Machine Learning To Predict Stock Value, Joseph Lemley, Yishui Liu, Dipayan Banik, Sadia Afroze

Symposium Of University Research and Creative Expression (SOURCE)

The purpose of this study was to compare machine learning techniques for short term stock prediction and evaluate their effectiveness. Stock value analysis is an important element of modern economies. The ability to predict future stock prices from historical price values is of tremendous interest to investors. The prediction of stock performance is still an unsolved problem with a variety of techniques being proposed. Real stock values are affected by many elements, some of which cannot be measured. In this study, we limit our analysis to stock closing prices. We use these prices to predict the future stock value using …

Statistics In League Of Legends: Analyzing Runes For Last-Hitting, Brian M. Hook

Mathematics: Student Scholarship & Creative Works

While other sports have statisticians to evaluate players and their stats, in electronic sports there is a need for statisticians to evaluate different parts of the game. League of Legends is the most popular of ESports and is the focus of this discussion. The mechanic of focus here is runes which give boosts to the players stats in-game like being able to do extra damage. We will be finding the effectiveness of these runes by looking at gold efficiency, help with last hitting, and extra damage dealt through the use of Python.

Identifying Relationships Between Scientific Datasets, Abdussalam Alawini

Dissertations and Theses

Scientific datasets associated with a research project can proliferate over time as a result of activities such as sharing datasets among collaborators, extending existing datasets with new measurements, and extracting subsets of data for analysis. As such datasets begin to accumulate, it becomes increasingly difficult for a scientist to keep track of their derivation history, which complicates data sharing, provenance tracking, and scientific reproducibility. Understanding what relationships exist between datasets can help scientists recall their original derivation history. For instance, if dataset A is contained in dataset B, then the connection between A and B could be that A was …

A Support Vector Machine Base Model For Predicting Heparin-Binding Proteins Using Biological Metrics And Xb Patterns As Features, Joseph W. Sirrianni

Computer Science and Computer Engineering Undergraduate Honors Theses

Heparin is a highly sulphated and negatively charged polysaccharides belonging to the glycosamino- glycans(GAGs) family. It is widely used in medical treatments as an injectable anticoagulant. Although many heparin-binding proteins have been identified through experimental studies, there are still many proteins needing to be classified as heparin-binding or not. Many studies have been aimed at prediction of heparin binding patterns or motifs in the primary structure of proteins. For example XBBXBX and XBBBXXBX are two well-known patterns or motifs. In spite of intensive studies, still no good model has emerged which reasonably predicts proteins in the protein database as heparin-binding …

Acceleration Of Ddscat Computation By Parallelization On A Supercomputer, Manoj V. Seeram

Chemical Engineering Undergraduate Honors Theses

The DDSCAT software is enabled for use of MPI or OpenMP to distribute calculation of different particle orientations amongst multiple processors on a high performance system. Run times for these simulations have been tested to take hours or days however and simulating varying orientations is not always necessary. If a simulation with only one particle orientation is submitted, DDSCAT could still potentially parallelize the simulation by wavelength calculations but it is unknown if this is the case. In this paper, we will be (i) quantifying the reduction in computation time that MPI provides relative to an equivalent MPI disabled simulation …