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Full-Text Articles in Physical Sciences and Mathematics

Can We Walk In Our Patients’ Shoes? Immersive Virtual Reality As An Empathy Training Tool For Medical Students, Riham Alieldin, Raffaella Borasi, Anne Nofziger, Karen Deangelis, Sarah Peyre Apr 2022

Can We Walk In Our Patients’ Shoes? Immersive Virtual Reality As An Empathy Training Tool For Medical Students, Riham Alieldin, Raffaella Borasi, Anne Nofziger, Karen Deangelis, Sarah Peyre

Frameless

Empathy is arguably the “backbone” of the patient-physician relationship. It has been shown to have numerous positive clinical outcomes especially in a patient-centered careservice. Nevertheless, studies have shown a disintegration of empathy and compassion in physicians during medical school and residency training due to the lack of standardization of empathy training in medical education.


A Review Of Xr Classrooms In Institutions Of Higher Education, Brandon Patterson, Tallie Casucci Apr 2022

A Review Of Xr Classrooms In Institutions Of Higher Education, Brandon Patterson, Tallie Casucci

Frameless

This talk will review the literature and examine existing physical spaces using virtual reality (VR) and augmented reality (AR), often referred together as extended reality (XR), to teach learners in an academic setting. Attendees will better understand best practices and ways of addressing potential challenges when designing a physical XR classroom space for higher education. A physical XR classroom provides institutions with a dedicated space for educational courses and workshops, which utilize XR for both one- off sessions and an entire semester (Pirker, Holly, and Gütl 2020). The talk will help answer the question, why a dedicated XR classroom?


H-Atom And O-Atom Methods: From Balancing Redox Reactions To Determining The Number Of Transferred Electrons, Pong Yuen, Cheng Man Diana Lau Apr 2022

H-Atom And O-Atom Methods: From Balancing Redox Reactions To Determining The Number Of Transferred Electrons, Pong Yuen, Cheng Man Diana Lau

Faculty Publications

Defining and balancing redox reaction requires both chemical knowledge and mathematical skills. The prevalent approach is to use the concept of oxidation number to determine the number of transferred electrons. However, the task of calculating oxidation numbers is often challenging. In this article, the H-atom method and O-atom method are developed for balancing redox equations. These two methods are based on the definition of redox reaction, which is the gain and loss of hydrogen or oxygen atoms. They complement current practices and provide an alternate path to balance redox equations. The advantage of these methods is that calculation of oxidation …


Applied Math In Introductory Chemistry, Ji Kim, Grace Pai Apr 2022

Applied Math In Introductory Chemistry, Ji Kim, Grace Pai

Open Educational Resources

Students, particularly those who are non-science majors, often struggle with college-level science courses required for graduation due to the applied mathematics needed to successfully complete the course. This resource includes four activities on the topics of units and measurements, dimensional analysis, density, and gases. These topics were specifically designed to teach the mathematics embedded in these topics in a culturally responsive way. Throughout the activities, we incorporate these four elements of culturally relevant pedagogy (Ladson-Billings, 2009) in order to engage students in successfully solving basic mathematics in chemistry while promoting their interest in learning chemistry.


Accurate Band Energies Of Metals With Quadratic Integration, Jeremy John Jorgensen Apr 2022

Accurate Band Energies Of Metals With Quadratic Integration, Jeremy John Jorgensen

Theses and Dissertations

Materials play an important role in society. Historically, and even at present, materials have been discovered by trial and error, and many of the most useful materials have been discovered by chance. The high-throughput approach aims to remove (as much as possible) chance and guesswork at the experimental level by filtering out materials candidates that are not predicted to exist. Many successes have been recorded. In the high-throughput approach to materials discovery, machined-learned models of materials are created from databases of theoretical materials. These databases are the result of millions of density-functional-theory (DFT) simulations. The size and accuracy of the …


Tuning Properties Of Topological Insulators: An Ab-Initio Approach, Karunya Shailesh Shirali Apr 2022

Tuning Properties Of Topological Insulators: An Ab-Initio Approach, Karunya Shailesh Shirali

LSU Doctoral Dissertations

This thesis develops a first-principles based approach to explore the tuning of topological properties of the tetradymite topological insulators. We begin by setting up a framework to systematically obtain the bulk and surface properties of topological insulators, treating the structural and electronic properties on an equal footing. We determine a consistent method for including the van der Waals interactions, which are responsible for the weak coupling between sets of atomic layers in this family of layered materials, which is important in obtaining accurate structural properties. We obtain close agreement with experimental values for both the bulk and surface states.

To …


Sandworms And Computer Worms: An Assessment Of American Critical Infrastructure Cyber Vulnerabilities And The Russian Federation's Growing Offensive Capabilities, Spencer Johns Apr 2022

Sandworms And Computer Worms: An Assessment Of American Critical Infrastructure Cyber Vulnerabilities And The Russian Federation's Growing Offensive Capabilities, Spencer Johns

Honors Theses

Bottom Line Up Front: It is highly likely that the Russian GRU has the capability, resources, and intent to execute cyberweapon attacks against American critical infrastructure in times of heightened tensions, either as a warning or a first strike. I also assess that much of current American critical infrastructure is not secure enough to withstand a coordinated assault by the GRU, and very likely has numerous severe vulnerabilities known by the GRU.


How Failures Cascade In Software Systems, Barbara W. Chamberlin Apr 2022

How Failures Cascade In Software Systems, Barbara W. Chamberlin

Theses and Dissertations

Cascading failures involve a failure in one system component that triggers failures in successive system components, potentially leading to system wide failures. While frequently used fault tolerant techniques can reduce the severity and the frequency of such failures, they continue to occur in practice. To better understand how failures cascade, we have conducted a qualitative analysis of 55 cascading failures, described in 26 publicly available incident reports. Through this analysis we have identified 16 types of cascading mechanisms (organized into eight categories) that capture the nature of the system interactions that contribute to cascading failures. We also discuss three themes …


A Multidimensional Convolutional Bootstrapping Method For The Analysis Of Degradation Data, Jared M. Clark Apr 2022

A Multidimensional Convolutional Bootstrapping Method For The Analysis Of Degradation Data, Jared M. Clark

Theses and Dissertations

While Monte Carlo methods for bootstrapping are typically easy to implement, they can be quite time intensive. This work aims to extend an established convolutional method of bootstrapping to work when convolutions in two or more dimensions are required. The convolutional method relies on efficient computational tools rather than Monte Carlo simulation which can greatly reduce the computation time. The proposed method is particularly well suited for the analysis of degradation data when the data are not collected on time intervals of equal length. The convolutional bootstrapping method is typically much faster than the Monte Carlo bootstrap and can be …


Performance Improvements In Inner Product Encryption, Serena Riback Apr 2022

Performance Improvements In Inner Product Encryption, Serena Riback

Honors Scholar Theses

Consider a database that contains thousands of entries of the iris biometric. Each entry identifies an individual, so it is especially important that it remains secure. However, searching for entries among an encrypted database proves to be a security problem - how should one search encrypted data without leaking any information to a potential attacker? The proximity searchable encryption scheme, as discussed in the work by Cachet et al., uses the notions of inner product encryption developed by Kim et al.. In this paper, we will focus on the efficiency of these schemes. Specifically, how the symmetry of the bilinear …


The Perception Of At-Risk Students On Caring Student-Teacher Relationships And Its Impact On Their Productive Disposition, Brittany Hopper Apr 2022

The Perception Of At-Risk Students On Caring Student-Teacher Relationships And Its Impact On Their Productive Disposition, Brittany Hopper

Theses and Dissertations

The importance of a positive, caring relationship with students in the classroom is under-researched in mathematics education. Research shows that a positive student-teacher relationship can have many long-term positive results for the student. Many of these results directly impact a student's productive disposition towards mathematics. At-risk students are in greater need of positive relationships and an increase in productive disposition. Using Joan Tronto's (1993) elements of care, I examine the student perspective of these kinds of relationships and how the student sees development of their own productive disposition.


Silver Bow Creek Butte Area Npl Site 1st Quarter 2022 Butte Priority Soils Operable Unit Interim Site-Wide Surface Water Monitoring Data Report. Consent Decree- Civil Action No. Cv 89-039-Bu-She, Josh Bryson Apr 2022

Silver Bow Creek Butte Area Npl Site 1st Quarter 2022 Butte Priority Soils Operable Unit Interim Site-Wide Surface Water Monitoring Data Report. Consent Decree- Civil Action No. Cv 89-039-Bu-She, Josh Bryson

Silver Bow Creek/Butte Area Superfund Site

No abstract provided.


A Permutation-Based Confidence Distribution For Rare-Event Meta-Analysis, Travis Andersen Apr 2022

A Permutation-Based Confidence Distribution For Rare-Event Meta-Analysis, Travis Andersen

Theses and Dissertations

Confidence distributions (CDs), which provide evidence across all levels of significance, are receiving increasing attention, especially in meta-analysis. Meta-analyses allow independent study results to be combined to produce one overall conclusion and are particularly useful in public health and medicine. For studies with binary outcomes that are rare, many traditional meta-analysis methods often fail (Sutton et al. 2002; Efthimiou 2018; Liu et al. 2018; Liu 2019; Hunter and Schmidt 2000; Kontopantelis et al. 2013). Zabriskie et al. (2021b) develop a permutation-based method to analyze such data when study treatment effects vary beyond what is expected by chance. In this work, …


Shining A Light On Dark Sky Week, Erik Johnson Apr 2022

Shining A Light On Dark Sky Week, Erik Johnson

Natural Science Faculty

Have you ever seen the Milky Way? For most Americans, it is impossible to see the band of light from the galaxy outside their homes. To be able to experience the night sky as our ancestors did, we have to travel to places away from light pollution.

International Dark Sky Week, which is happening April 22-30, celebrates the night sky and offers everyone a chance to reflect on the lighting choices made around their home and in their community.


Trout Responses To Stocking Rates And River Discharge Within A Southeastern U.S. Hydropeaking Tailwater, Jonathan J. Spurgeon, Joseph Kaiser, Christy Graham, Steve Lochmann Apr 2022

Trout Responses To Stocking Rates And River Discharge Within A Southeastern U.S. Hydropeaking Tailwater, Jonathan J. Spurgeon, Joseph Kaiser, Christy Graham, Steve Lochmann

Nebraska Cooperative Fish and Wildlife Research Unit: Staff Publications

Freshwater fish populations often exist in systems characterized by novel ecological processes resulting from human alteration. Salmonid populations embedded within coldwater sections of warmwater rivers are spatially constrained by habitat availability. Tailwater fish contend with fluctuating river discharges and density-dependent processes associated with fish stocking and exploitation. Salmonid populations sustained through stocking versus natural reproduction may respond differently to changes in hydrologic patterns (e.g., hydropeaking) as well as declines in fish abundance. We assessed differences between stocked (Rainbow Trout Oncorhynchus mykiss) and naturalized (Brown Trout Salmo trutta) trout populations in Greers Ferry tailwater, Arkansas, regarding (1) spatial and …


E-Device Purchase And Disposal Behaviours In The Uae: An Exploratory Study, Ayisha Siddiqua, Maisa El Gamal, Waheed Kareem Abdul, Lama Mahmoud, Fares M. Howari Apr 2022

E-Device Purchase And Disposal Behaviours In The Uae: An Exploratory Study, Ayisha Siddiqua, Maisa El Gamal, Waheed Kareem Abdul, Lama Mahmoud, Fares M. Howari

All Works

The United Arab Emirates (UAE) is one of the high-income countries in the Middle Eastern region and is vying for sustainable development in every sector. One of the UAE sustainable development goals is to ensure sustainable consumption and production patterns; hence, the emphasis is on circular economy. UAE is one of largest consumers of e-devices, and their proper disposal is of paramount importance. E-waste disposal awareness leads to better disposal behaviors. Therefore, the purpose of the study was to understand the e-device purchase and disposal behaviour among university communities in the UAE. A survey was conducted among the students and …


Visual Attention Methods In Deep Learning: An In-Depth Survey, Mohammed Hassanin, Anwar Saeed, Ibrahim Radwan, Fahad Shahbaz Khan, Ajmal Mian Apr 2022

Visual Attention Methods In Deep Learning: An In-Depth Survey, Mohammed Hassanin, Anwar Saeed, Ibrahim Radwan, Fahad Shahbaz Khan, Ajmal Mian

Computer Vision Faculty Publications

Inspired by the human cognitive system, attention is a mechanism that imitates the human cognitive awareness about specific information, amplifying critical details to focus more on the essential aspects of data. Deep learning has employed attention to boost performance for many applications. Interestingly, the same attention design can suit processing different data modalities and can easily be incorporated into large networks. Furthermore, multiple complementary attention mechanisms can be incorporated in one network. Hence, attention techniques have become extremely attractive. However, the literature lacks a comprehensive survey specific to attention techniques to guide researchers in employing attention in their deep models. …


Modeling Air Pressure Propagation Through Wind Cave And Jewel Cave: How Can Air Pressure Signals Inside Barometric Caves Be Predicted From Surface Pressure Measurements?, Annika K. Gomell, Andreas Pflitsch Apr 2022

Modeling Air Pressure Propagation Through Wind Cave And Jewel Cave: How Can Air Pressure Signals Inside Barometric Caves Be Predicted From Surface Pressure Measurements?, Annika K. Gomell, Andreas Pflitsch

International Journal of Speleology

Recent speleoclimatological research has shed new light on air pressure dynamics inside barometric caves by identifying pressure-modifying processes and resulting systematic differences between cave and surface air pressure. Based on these new findings, a multi- step quantitative model is developed and explored to predict air pressure inside Wind Cave and Jewel Cave – two major barometric cave systems in the Black Hills of South Dakota, USA – from external surface measurements. Therefore, each identified speleoclimatological pressure process is translated into a mathematical operation. Model evaluation based on Pearson correlation and mean (absolute) deviation between model outputs and control measurements yields …


Synthesis And Characterization Of A Novel Reaction-Based Azaborine Fluorescent Probe Capable Of Selectively Detect Carbon Monoxide Based On Palladium-Mediated Carbonylation Chemistry, Samuel Moore, Carl Jacky Saint-Louis Apr 2022

Synthesis And Characterization Of A Novel Reaction-Based Azaborine Fluorescent Probe Capable Of Selectively Detect Carbon Monoxide Based On Palladium-Mediated Carbonylation Chemistry, Samuel Moore, Carl Jacky Saint-Louis

Symposium of Student Scholars

Azaborines are fascinating compounds because they possess valuable properties such as photochemical stability, have high molar absorption coefficient and high fluorescent quantum yields, as well as large Stokes shifts and tunable absorption/emission spectra. Here, we designed, synthesized, and will examine a novel reaction-based azaborine fluorescent probe capable of selectively detect carbon monoxide (CO) based on palladium-mediated carbonylation chemistry. This novel azaborine fluorescent probe will exhibit high selectivity for CO and display a robust turn-on fluorescent response in the presence of CO in aqueous buffer solution.


Ketal-Azaborine Versus Ketal-Azaborine With A Spacer: Structural Effects On The Photophysical Properties Of Tunable Heteroaromatic Polycyclic Chromophores, Albert Campbell, Janiyah Riley, Samuel Moore, Albert Campbell Apr 2022

Ketal-Azaborine Versus Ketal-Azaborine With A Spacer: Structural Effects On The Photophysical Properties Of Tunable Heteroaromatic Polycyclic Chromophores, Albert Campbell, Janiyah Riley, Samuel Moore, Albert Campbell

Symposium of Student Scholars

Flat-structured heteroaromatic polycyclic compounds with extended conjugated π-systems such as azaborines are in high demand in the material and imaging technology markets because of their unique features such as simultaneous tunability of fluorescence color and intensity. We have designed, synthesized, and investigated a series of novel conjugated thermally stable ketal-azaborine chromophores that contain a phenyl ring as a spacer between electronic moieties and the ketal-azaborine core as easily tunable high-luminescent organic materials. We investigated the impact of the phenyl spacer on the ketal-azaborine unit. We examined the structural effects on their photophysical properties by incorporating electron –donating and –withdrawing substituents …


Azaborine Versus Azaborine With A Spacer: Structural Effects On The Photophysical Properties Of Tunable Azaborine Chromophores, Kaia Ellis, Janiyah Riley, Lyric Gordon, Janiyah Riley Apr 2022

Azaborine Versus Azaborine With A Spacer: Structural Effects On The Photophysical Properties Of Tunable Azaborine Chromophores, Kaia Ellis, Janiyah Riley, Lyric Gordon, Janiyah Riley

Symposium of Student Scholars

Azaborines are fascinating compounds because of their valuable and interesting optical properties making them suitable to be utilized in many optoelectronic devices. We have designed, synthesized, and investigated a series of novel conjugated thermally stable azaborine chromophores by incorporating a phenyl ring as a spacer linking the chromophore to different electronic moieties as easily tunable high-luminescent organic materials. We investigated the effect of the phenyl spacer on the azaborine unit. The substituent effects of different electronic moieties were investigated by the insertion of electron –withdrawing and –donating moieties to the phenyl spacer. We examined the role of the electron –donating …


Gravimetric Determination Of The Adsorption Capacity Of Zirconium Hydroxide For Isopropanol, Riley Bennett Apr 2022

Gravimetric Determination Of The Adsorption Capacity Of Zirconium Hydroxide For Isopropanol, Riley Bennett

Symposium of Student Scholars

Zirconium hydroxide’s adsorption properties make it useful for the decomposition of chemical warfare agents and toxic industrial chemicals. In the current study, isopropanol is used to examine the adsorption behavior of the zirconium hydroxide surface sites through a series of microreactor experiments. Initially, the mass delivery of isopropanol is calibrated as a function of temperature and gas flow rate. Separate experiments can then be done by flowing the isopropanol mixture through a sample of zirconium hydroxide to quantitatively determine the amount of isopropanol that can adsorb onto a sample of zirconium hydroxide. FT-IR spectra of the gas mixtures flowing from …


Iot Clusters Platform For Data Collection, Analysis, And Visualization Use Case, Soin Abdoul Kassif Baba M Traore Apr 2022

Iot Clusters Platform For Data Collection, Analysis, And Visualization Use Case, Soin Abdoul Kassif Baba M Traore

Symposium of Student Scholars

Climate change is happening, and many countries are already facing devastating consequences. Populations worldwide are adapting to the season's unpredictability they relay to lands for agriculture. Our first research was to develop an IoT Clusters Platform for Data Collection, analysis, and visualization. The platform comprises hardware parts with Raspberry Pi and Arduino's clusters connected to multiple sensors. The clusters transmit data collected in real-time to microservices-based servers where the data can be accessed and processed. Our objectives in developing this platform were to create an efficient data collection system, relatively cheap to implement and easy to deploy in any part …


Machine Learning-Oriented Predictive Maintenance (Pdm) Framework For Autonomous Vehicles (Avs): Adopting Blockchain For Pdm Solution, Md Jobair Hossain Faruk, Hossain Shahriar, Maria Valero Apr 2022

Machine Learning-Oriented Predictive Maintenance (Pdm) Framework For Autonomous Vehicles (Avs): Adopting Blockchain For Pdm Solution, Md Jobair Hossain Faruk, Hossain Shahriar, Maria Valero

Symposium of Student Scholars

Autonomous Vehicles (AVs) refers to smart, connected and multimedia cars with technological megatrends of the fourth industrial revolution (Industry 4.0) and have gained huge strive in today's world. AVs adopt automated driving systems (ADS) technique that permits the vehicle to manage and control driving points without human drivers by utilizing advanced equipment including a combination of sensors, controllers, onboard computers, actuators, algorithms, and advanced software embedded in the different parts of the vehicle. These advanced sensors provide unique inputs to the ADS to generate a path from point A to point B. Ensuring the safety of sensors by limiting maintenance …


The Investigation Of Geologically Relevant Metal Phosphites As A Plausible Source Of Phosphorus In Prebiotic Chemistry, James Quarles, Amelia Shengaout, Kimberly Meyberg, Heather Abbott-Lyon Apr 2022

The Investigation Of Geologically Relevant Metal Phosphites As A Plausible Source Of Phosphorus In Prebiotic Chemistry, James Quarles, Amelia Shengaout, Kimberly Meyberg, Heather Abbott-Lyon

Symposium of Student Scholars

To understand the origin of life, the abiotic incorporation of phosphorus in energy-promoting molecules like adenosine triphosphate (ATP) need to be identified. However, a consensus has not been reached on the source of phosphorus for prebiotic chemistry on Archaean Earth. One hypothesis is that metal phosphites were an important source of phosphorus for prebiotic chemistry. The primary issue with this hypothesis is the lack of phosphites in the geological rock record, where different phosphorus compounds (mostly inorganic phosphates) are observed instead. Two geologically relevant metal phosphites with varying waters of hydration, CaHPO3 and MgHPO3, were synthesized, structurally characterized, and thermally …


Students Certification Management (Scm): Hyperledger Fabric-Based Digital Repository, Md Jobair Hossain Faruk, Hossain Shahriar, Maria Valero Apr 2022

Students Certification Management (Scm): Hyperledger Fabric-Based Digital Repository, Md Jobair Hossain Faruk, Hossain Shahriar, Maria Valero

Symposium of Student Scholars

The higher education sector has been heavily impacted financially by the economic downturn caused by the pandemic that has resulted a decline in student enrollments. Finding cost-effective novel technology for storing and sharing student's credentials among academic institutions and potential employers is a demand. Within the current conventional approach, ensuring authentication of a candidate’s credentials is costly and time-consuming which gives burdens to thousands of prospective students and potential employees. As a result, candidates fail to secure opportunities for either delay or non-submission of credentials all over the world. Blockchain technology has the potential for students' control over their credentials; …


Synthesis And Characterization Of Chiral Magnetic Oxide: Mnmoteo6, Chase Hames, August Meads Apr 2022

Synthesis And Characterization Of Chiral Magnetic Oxide: Mnmoteo6, Chase Hames, August Meads

Symposium of Student Scholars

The chiral materials lack mirror reflection symmetry in their crystal structures like right and left hands. Such materials often host unique non-collinear or topological magnetic textures such as magnetic skyrmions. If such magnetic textures are formed in insulating oxides with coupled electric and magnetic properties, then such magnetic structures can be controlled and manipulated using electric fields rather than electric current. With this motivation, we are synthesizing and characterizing chiral materials belonging to MMoTeO6 (M=Mn, Co, Fe, Cu, Ni) family. I will discuss about the phase formation and solid-state synthesis of MnTeMoO6 along with its structural, electrical and …


Think Of The Future: From Nonrenewable To Sustainable, Froyzee Rey Eduard Armena Apr 2022

Think Of The Future: From Nonrenewable To Sustainable, Froyzee Rey Eduard Armena

Symposium of Student Scholars

Abstract

When seawater evaporates, it becomes rainwater that you can store and use later on. The resources available on earth are immeasurable, yet it takes so much time for it to replenish its usable state, just like the ocean. When I drive through cities, I’m always in awe of being constantly reminded how the human race has progressed. The rate at which we progress concerns me, do we have enough power to fuel the future? Are the resources we can tap in from support the amount of research we do? This research aims to assess our energy reserves that seem …


General Chemistry Students’ Cognitive Engagement And What They Attend To During A Three-Dimensional Modeling Activity Focused On Chemical And Physical Properties Of Coordination Complexes, Hailey Knoeferl, Tiyana Mccullough, Tia Gordon, Cassidy Terrell, Adriane Randolph, Kimberly Linenberger Cortes Apr 2022

General Chemistry Students’ Cognitive Engagement And What They Attend To During A Three-Dimensional Modeling Activity Focused On Chemical And Physical Properties Of Coordination Complexes, Hailey Knoeferl, Tiyana Mccullough, Tia Gordon, Cassidy Terrell, Adriane Randolph, Kimberly Linenberger Cortes

Symposium of Student Scholars

In chemistry, three-dimensional models are being used to help students comprehend advanced topics within the subject. Because a greater cognitive load is often related to three-dimensional models, learning what raises the cognitive load and determining the best way to measure it is critical. From there, steps can be taken to help lower the cognitive load and make the material easier for students to comprehend. To understand cognitive load concerning models, students were presented with physical three-dimensional models of various coordination complexes and asked to determine bond angles, the metal present in the complex, polarity, and to draw possible isomers and …


Computer Simulation Of Raman Spectra And Mode Assignment: Application To Methane, Oluwaseun Omodemi, Ciara Tyler, Martina Kaledin Apr 2022

Computer Simulation Of Raman Spectra And Mode Assignment: Application To Methane, Oluwaseun Omodemi, Ciara Tyler, Martina Kaledin

Symposium of Student Scholars

This work uses driven molecular dynamics (DMD) method, in conjunction with an analytic PES calculated using MP2/aug-cc-pVDZ energies to identify and assign Raman vibrational modes of methane. Recently, a new linearized approach was proposed for the Polarizability Tensor Surfaces (PTS) that yields a unique solution to the least-squares fitting problem and provides a competitive level of accuracy compared to the non-linear PTS model. We used the previously reported B3LYP/6-31+G(d) molecular geometries for CH4 and generated a new PTS at the MP2/aug-cc-pVDZ level of theory. The performance of the linearly parametrized functional form for the CH4 PTS is examined. …