thesis title for system analysis and design

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Thesis, System Analysis and Design, Software Engineering, Capstone Project Titles for IT, Computer Science and Computer Engineering

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The following are the new list of titles that you can use for your Capstone and Thesis project, SAD Subject or the System Analysis and Design, Software Engineering and others, we have also prepared titles for web and mobile computing systems, software extension or plugins, expert system related projects, hardware based projects (from Ankyo Automation) , intelligent systems, multimedia related projects and many more.

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Web and Mobile Computing Systems

• Design and Development of Mobile Based Interface for Medical Records and Management using PHP, MySQL and Bootstrap
• Voice over IP in Mobile Devices (Android and IOS)
• The Development of Mobile Commerce using MEAN(Mongo, Express, AngularJS, NodeJS) Stack
• A Study on Mobile Peer to peer Payment using Cryptocurrency
• Mobile Platform for Location Based Services
• Web Based Barangay Management System with Mobile App Support Application and GIS using PHP, MySQL and QGIS
• Web and Mobile Based Social Media Directory using ASP.Net
• Customized ERP for Economics Enterprise with Profit Sharing and Forecasting Application using Javascript
• Design and Development of Smart Phone Based Guitar Tuner
• Recipe App Manager using Framework7 and Apache Cordova
• Dynamic Web Portal for Human Resource Department with Leave Management and Applicants Management System using PHP, MySQL and Bootstrap
• eLearning Web App using MEAN (Mongo, Express, Angular, NodeJS) Stack
• The Effect of Mobile Learning App in Student Learning Effectiveness
• Online Faculty Evaluation and Ranking System with Mobile Application Support for IOS and Android
• Web Based Health Management Information System using Laravel PHP Framework
• Web and Mobile Based Ordering and Billing Application using Bootstrap, Framework7 and Apache Cordova
• Web and Mobile Based Interactive Simulation on First-Aid Training using PHP, MySQL and Android Studio
• Web and Mobile Based Class Attendance Monitoring Application (PHP, MariaDB, Ionic, Apache Cordova)
• Android Based Board Exam Reviewer using Android Studio and SQLite
• Web Based Research Project Monitoring and Evaluation System using PHP7, MySQL and Bootstrap
• Web and Mobile Based Event Planner with Social Share Integration using PHP, MySQL and Bootstrap
• Web Based Entrance Examination with Mobile App Support and SMS Notification using iTexMo API
• Indigency Visualization using Spatiotemporal Web Based Mapping in QGIS
• Social Networking Application using BuddyPress Plugin in WordPress
• Online Attendance System using Face Recognition API
• Web Based Attendance Monitoring System with Mobile Application using NFC Smart Card Reader
• Grade Viewer Application in Android using Framework7 and Apache Cordova

Visit the links for more thesis title that are related to web and mobile project

Mobile Based Projects

https://www.inettutor.com/source-code/androidmobile-list-of-capstone-and-thesis-projects/

Web Based Projects

https://www.inettutor.com/source-code/web-based-and-online-application-for-capstone-and-thesis-projects/

Software Extensions or Plug-in

• Development of eCommerce Plugin for Joomla CMS
• Directory Manager for WordPress
• File Manager Plugin for Drupal
• Dictionary Plugin for Google Chrome
• MyNotes: Checklist Manager Plugin for Drupal
• Portfolio Manager Component in Joomla
• Password Manager Plugin for Google Chrome
• Panorama Module in Joomla
• Auction Plugin in WordPress
• Live Chat Plugin for Drupal
• Billing and Invoice Plugin for Joomla
• Responsive Product Catalog Plugin in WordPress
• Social Fitness Plugin for Joomla
• Elearning Module with Student Performance feature for Joomla
• ScreenCapture Extension for Mozilla Firefox
• RentACar Plugin Component for WordPress
• Job Board Module for Drupal
• Donation Plugin via Paypal for WordPress
• Notes Manager Plugin in Chrome using HTML, CSS, Javascript (JSON, JQuery)
• Book Library Collection Component in Joomla
• Booking and Reservation Plugin in WordPress
• WebFile Upload and Download Manager Extension for Joomla
• Online Payment Plugin for Drupal
• Events Scheduler Chrome Plugin using Google Calender
• Weather Forecast Plugin for WordPress using PHP, MySQL and Weather Underground

Expert Systems/Machine Learning/Data Mining

• Medical Guide Technology Expert System using C# and SQL Server
• Education Data Mining in Predicting Student Performance
• Expert Information System in Banking and Financial Sector
• Data Mining Techniques in Crime Rate Prediction
• A Case Study on the Role of Data Mining in Information Security
• Environmental Crisis Prediction using Data Mining Methods and Algorithm
• Expert System on Predicting stock and stock price index movement
• Data Mining Techniques in Customer Relationship Management (CRM)
• Application of Data Mining Methods in Diabetes Prediction
• Phishing Attack Detection using Data Mining Algorithm
• Online Expert System in Transportation Engineering and Traffic Adaptive Signal Control System
• Expert Speech Recognition System in Hospitals using Java Programming Language
• A Case Study on the use of Expert System in Construction Industry
• Usage of Data Mining in Customer Trend Analysis
• Fraud Detection Application using Data Mining Techniques

Decision Support Systems

• The Importance of Business Intelligence in Decision Making
• Inventory Management System with Decision Support System and Forecast Planner
• Construction Projects and Progress Monitoring with Decision Support and Evaluation
• Decision Support System in Logistics and Supply Chain Management
• The Role of Decision Support Systems to Information Management System
• SMS Based Information Broadcasting and Incident Reporting with Decision Support
• Web Based Soil Analysis Results Archiving with Decision Support System using PHP, MySQL and Bootstrap4
• The Impact of Mobile Based Application with Decision Support System Feature in Agriculture Industry
• Flash Flood Prediction Model using Regression Analysis with Decision Support System
• Water Resources Management with Decision Support System using C#.net and SQL Server
• Decision Support System on Medical Technology and Machine Learning Language
• Heart Failure Diagnostic Project with Decision Support System using Arduino
• The use of Decision Support System in Ecommerce Platform
• A Case Study on the Impact of Decision Support System in Oil Industry
• Web Based Management Information System in Marketing with Decision Support Application using PHP, MySQL and Bootstrap

Systems Software

• Web and Mobile Based Ambulance Management System with GIS/GPS/GSM
• Barcode Based Document Archiving and Tracking Application using C# and MariaDB
• Activity Attendance Monitoring System using Smartcard Technology (VB.net and SQL Server)
• Hospital Management System
• Clinic Information and Management System
• Point of Sale System with Forecast Planner Application using PHP, MySQL, Bootstrap
• Registrar LAN Based Grade Management System with TOR Designer Feature
• Biometric Based Folder Password Protector using Digital Persona using VB.net and MySQL
• Face Recognition Attendance Project using OpenCV and Phyton
• LAN Based Test Banking System with Item Analysis Feature in Visual Basic and MariaDB
• Veterinary and Pet Shop Management Information System using Visual Basic and MySQL
• Implementation of Integrated Human Resource Information System with Employee Document Archiving System in PHP, MySQL, AJAX and Bootstrap
• LAN Based Board Examination Reviewer Application with Student Performance Tracking System in C#/VB.net and MySQL
• Pawnshop Management System with SMS Notification in Visual Basic, MySQL and iTexMo SMS API
• Data Protection for Removable Storage Media using Clotion Algorithm
• Kiosk Based Complaints Handling and Evaluation Management System with Business Analytics using Visual Basic.Net and MySQL

Intelligent Systems

• Real time Crime detection on CCTV cameras using state of the art Convolutional Neural Network models
• Computational Intelligence Based Monitoring Systems for persons with disabilities
• Intelligent Car Transportation System with Mobile App Support
• The Application of Artificial Intelligence in Speech Recognition and Handwriting Recognition
• Arduino Based Path Guiding Robotic System with Artificial Intelligence using Microcontroller
• Mobile Based Intelligent Tourist Information System using Ionic Framework
• Intelligent Mobile robot navigation technique using RFID Technology and Arduino
• Intelligent Audio Based Screen Reader Application for Blind person using Ionic, Angular and Apache Cordova
• Pest Control Project using Artificial Intelligent Techniques
• The Importance of Artificial Intelligence in Preventing Cyber Crime and other Cyber Security Issues

Multimedia and Game Development

• Virtual Reality Campus Tour with Mobile App Support (Android and IOS)
• The use of Animation and other Multimedia Technology in teaching Philippine History
• GameProgramming: An Interactive Multimedia Game that teaches programming lessons and tutorials
• Word Search Mobile Application App for IOS and Android using Ionic, Angular and Apache Cordova
• Data Analytics in Game Development using R Programming Language
• DaMath Mobile App Game using HTML5 Game Development
• WiFi/Bluetooth Based Quiz Game App using Unity3D
• Interactive Spelling Game for Desktop, IOS and Android with Social Share Feature using Unity3D
• Interactive Crime Solver Application for IOS and Android using Unity3D
• Flight Simulation App for Pilot using Unity3D
• Architecture and Interior Design Virtual Tour in Unity3D

Image Processing Application

• Camera/Image Processing Based Identification of Bacteria using MATLAB
• Camera/Image Processing Techniques in Currency Identification using Java Programming Language
• Garbage Segregator Project using Image Processing Methods
• The use of Image Processing in Vehicle License/Plate number Recognition using MATLAB
• Sugarcane Variety Detector using Camera Based Algorithm
• Mangrove Specie Identification App using Image Processing and Computer Vision/Recognition Technology
• Blood Type Identification Project using Image Processing Algorithm using MATLAB
• Test Paper Checker Program using Optical Mark Recognition using Java Programming Language
• Simulation of Hand Gesture Recognition Project in MATLAB
• Motion Detector Project using Vision Based Algorithm in MATLAB

Arduino/Raspberry Pi (Ankyo Automation)

Facebook Page: https://web.facebook.com/ankyoautomation/

• Anti-thief Vehicle Monitoring using Arduino and Raspberry
• Programmable Energy Meter with Bill Estimation
• Fire Alarm System with SMS Notification using Raspberry
• CCTV Remote Surveillance App using Arduino
• Hotspot Voucher Code Generator using Raspberry Pi
• Arduino Based Home Appliances Automation
• Building Light Control System using Arduino with Mobile Support
• Arduino Security Alarm With PIR Sensor
• Arduino Based Electrical Appliances Control using IR
• Automatic Water Tank on and off System using Arduino
• Motion Detector using Arduino with Auto SMS Notification
• Home appliances controlled by android phone using Arduino
• Automatic Plant Irrigation and Monitoring System
• Door opener using RFID with SMS
• Arduino Based Digital Temperature Sensor
• Fire alarm System using Arduino with SMS
• Smoke Detector Project with SMS using MQ-2 Gas Sensor
• Android Based Water Level Controller
• Automatic School Gate Opener using RFID Reader
• Home Appliances Controller using Arduino
• Flood Alarm System with SMS using Arduino
• Arduino Based Vehicle Parking Counter with Web Based Console
• Door Opener using Fingerprint with SMS
• GSM Based Home Security Alarm System Using Arduino
• Door Lock using Magnetic Stripe Reader with Fingerprint Scanner
• Gas Leakage Detector with GSM Module for SMS Alert and Sound Alarm
• Coin Operated Car Wash System with Income Collection Report
• Arduino Based Distance Sensor
• Air Quality Monitoring System on Arduino Microcontroller
• Arduino Based Mosquito Repellant System
• Arduino Based Traffic Lights Control System with Android App
• SMS Based Electronic Bulletin Board using Arduino
• Android Based IQ Test App with Score Monitoring
• Android Based Geographic Information System about Disaster Prone Location
• IoT (internet of things): Smart Store using Arduino microcontroller

For more information about the Arduino Based Projects, please visit their Facebook Fan Page.

Microsoft Kinect Sensor

• Sitting posture recognition with Kinect sensor
• Home Automation with Netduino and Microsoft Kinect
• Action Recognition using Microsoft Kinect Sensor
• Sign Language Converter using Microsoft Kinect sensor
• Robot Car Obstacle Detector using Microsoft Kinect sensor

Completed Projects with Source code

The following titles are the previous projects of our team; please visit the download section of the website to download the source codes.

• ELearning System in PHP, MySQL and Bootstrap
• Accounting System using Visual Basic.Net and SQL Server
• Inventory and Point of Sale using Visual Basic and MySQL
• Hospital Management System in C#.net and MariaDB
• Loaning System in Visual Basic and MS Access
• Hotel Management and Reservation System using PHP, MySQL and Bootstrap
• Voting/Election System (PHP, MySQL, Bootstrap, jQuery Mobile for Web and Mobile version) (Visual Basic and MySQL for LAN version)
• Student Information System using Visual Basic and MariaDB
• Computer Aided Instruction in Visual Basic and MS Access
• Attendance Monitoring System in Visual Basic and MySQL
• Class Scheduling System in Visual Basic and MS Access
• Entrance Examination System in PHP, MySQL and Bootstrap
• Billing System (Water and Electricity) using Visual Basic and MySQL
• Student Information System using Visual Basic 6, PHP/MySQL
• Payroll System using Visual Basic 6, PHP/MySQL
• Faculty Information System in Visual Basic 6, PHP/MySQL
• Polling System in Visual Basic 6 and MS Access
• Medical and Laboratory Record Keeping System using Visual Basic 6, PHP/MySQL
• Library System in Visual Basic 6, PHP/MySQL
• Cashiering and Queuing System using Visual Basic 6 and MS Access
• Student Account and Cashiering System in Visual Basic 6 and MySQL
• DTR (Daily Time Record) System using Visual Basic 6 and MS Access
• DTR (Daily Time Record) System with Biometrics using Visual Basic 6 and MySQL
• School Management System (Enrollment, Registrar, Cashiering, Student Information Module) in Visual Basic 6 and MySQL
• PE Tools Management System in Visual Basic 6 and MS Access
• POS and Inventory System using Visual Basic 6 in MySQL
• Hotel and Reservation System using Visual Basic 6, PHP/MySQL
• Dictionary Program in Visual Basic 6, PHP/MySQL, Android(jQuery Mobile and Apache Cordova/Phonegap)
• Computer Assisted Instruction (any topic/subject) in Visual Basic 6, PHP/MySQL, Moodle
• Science Games in Visual Basic 6, Android(jQuery Mobile and Apache Cordova/Phonegap)
• Math Games using Visual Basic 6, Android(jQuery Mobile and Apache Cordova/Phonegap)
• Water Billing System in Visual Basic 6, PHP/MySQL
• Enrollment System in Visual Basic 6, PHP/MySQL
• Rice Sales and Inventory System using Visual Basic 6
• High School Grade Recording System (Form 138 & Form 137) using Visual Basic 6
• Registrar System using Visual Basic 6 and MySQL
• Interactive Spelling Game available in Visual Basic 6, Android(jQuery Mobile and Apache Cordova/Phonegap)
• Voting System using Visual Basic 6 and MySQL
• Voting System with Mobile Application in PHP/MySQL, Android(jQuery Mobile and Apache Cordova/Phonegap)
• Evaluation System (Faculty & Staff) in Visual Basic 6 and MySQL
• Human Resource Information System (HRIS) in Visual Basic 6, PHP, MySQL and Bootstrap
• Student Profiling in Guidance Office using Visual Basic 6, PHP/MySQL
• Student Assessment System in Visual Basic 6 and MySQL
• Online Alumni Information System using PHP/MySQL, Joomla
• Classroom Management System in Visual Basic 6 and MS Access
• Examination Scheduler using Visual Basic 6 and MS Access
• IGP Billing System in Visual Basic 6 and MySQL
• Grading System using Visual Basic 6/MySQL
• Social Networking System using PHP/MySQL, Joomla
• General Service Office Automated Inventory System in Visual Basic 6 and MS Access
• Fish Information System using Visual Basic 6 and MS Access
• Patient Record System with Decision Support using Visual Basic 6 and MS Access
• Library and Computer Time Usage System using Visual Basic 6 and MS Access
• Parish Record Keeping System in Visual Basic 6 and MS Acess
• Employee Ranking System Visual Basic 6 and MS Access
• Educational Android Quiz game for Computer Fundamentals for Android(jQuery Mobile and Apache Cordova/Phonegap)
• Attendance System using Barcode Technology in Visual Basic 6 and MS Access
• Brgy Residents Information System using Visual Basic 6, PHP/MySQL
• Automated Business Permit Issuance System in Visual Basic 6 and MS Access
• Lan-based Computer Games for Fisheries
• Android Based Menu Ordering App for Android(jQuery Mobile and Apache Cordova/Phonegap)
• Computer Laboratory Time Management System Visual Basic 6 and MS Acess
• Picture Guessing Game in Visual Basic 6 and MS Access
• Teller’s Queuing System using Barcode Technology using Visual Basic 6 and MS Access
• Android Based Student Handbook using jQuery Mobile and Apache Cordova/Phonegap
• First-aid App for Android(jQuery Mobile and Apache Cordova/Phonegap)
• Ecommerce site in PHP/MySQL, Joomla, WordPress

To our site visitors, if you do have questions and suggestions please don’t hesitate to contact us. Thank you and Happy Programming

We will compile new sets of Thesis/Capstone titles and we will update this post

If you have some ideas and thesis titles to share, please post it in the comment section below.

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system-analysis-and-design

Here are 25 public repositories matching this topic..., andreasvarga / descriptorsystems.jl.

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theablemo / System-Analysis-and-Design-Project-Frontend

This repository contains the frontend code for the final project of the System Analysis and Design course taught by Dr. Mehdi Mostafazade in the Spring semester of 2022 at Sharif University of Technology

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nelsontr / AMS_2020-2021

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Abdelrahman-Yasser-1 / System-Analysis-and-Design-Project

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M5dh1 / M5dh1

Config files for my GitHub profile.

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xkrejc70 / mit-AIS-project

AIS - Information Systems Analysis and Design

• Updated Dec 8, 2021

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Best Thesis Title For IT/CS Student [Updated 2024]

Best thesis title for it/cs student [updated 2024] with sample source code.

Thinking the best thesis proposal for IT students  is the first thing that a student of any Computer Related course should consider.

It is necessary for those students who are taking core subjects.

I also have here some list of Best  PHP Projects with source code ,  Python Projects with source ,  Django Projects with Source code ,  C/C++ programming projects with source code ,  Java Projects With Source Code ,  Javascript Projects With Source Code , and  VB.Net Projects with Source Code  which I believe after finding your Final Year Project Title, you need to find a Sample projects with source code.

Note: Before choosing the Research Title you desired, here are some  tips on how to write a good research Title for your Thesis or Capstone Project.

Sample System Proposal Title

Research office management system, proposed library management system for st. columban’s academy, basic education information management system, online scoring system, attendance monitoring system for raymundo t. tongson national high school su-ay extension, online college department management information system, clinic information management system, school canteen voucher system using rfid technology, test bank system,  water turbidity monitoring and notification system for brgy.san juan molo, system controlled electric circuit for phinma-ui, phinma-ui accounting office anti-burglary system, cost-effective fire alarm system for phinma-ui, supporfrog adventure(a mobile game), feeding management system, employee management system for pub express, nel kat-al auto supply, elm industrial sales pos and inventory system, municipality of san joaquin’s senior citizen express pension system, phinma-ui senior high student activity and record monitoring system, phinma-ui e-portfolio, search robot of phinma-ui, phinma-ui student and employee attendance monitoring system using rfid, protech-school security automation app, ui payment queuing system, university vehicle detection using ocr, phinma-ui computer laboratory attendance monitoring system, condensed iloilo responder app, meetings multimedia organizer for jehova’s witness, touch-screen based point-of-sale system (pos), sales and inventory monitoring system with sms, weather forecast application using android, cemetery mapping and information system, computer-aided instruction with voice recognition system, holistic computerized faculty evaluation system, book catalog application using android, hotel reservation application with mobile compatibility in android, sms-based grade inquiry system, mobile voting system using android, grade viewer application in android, ssg management system with sms notification, payroll system with biometric and barcode technology, school event attendance monitoring system with biometric and barcode technology, face recognition system, android – controlled car, motorcycle tracking with gps using android, mobile educational application for elementary student using android, class time table in android, android-based class attendance monitoring application using barcode, lending management system, veterinary clinic and pet shop management system, android joystick application using bluetooth, mobile point-of-sale application with sms notification, group messenger application using android, medicine inventory and patient information system, resort management system, mobile reservation for banquet halls, e-learning system, e-voting system with sms technology, on route travel assistant for public transport based on android technology, camera-based heart rate detector using android, mobile health tips using android, video rental application in android, quiz application using android, pharmacy management system, mobile pharmacy application in android, geographic information system with flood-prone location, rfid-based student monitoring system, home appliances controlled by android smartphone, intelligent traveler locator using google map application, bluetooth controlled robot using android mobile.

*More Title to follow————————>

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System Analysis and Design

Contributors.

• Sarrah Aparece

Description

System Analysis and Design Methods present a practical approach to information technology and systems development. Students learn how to translate business requirements into information systems that support a company’s short- and long-term objectives. Case studies and assignments teach analytical, problem solving, and decision-making techniques and learn how to blend traditional structured analysis skills, object-oriented methods, and project management techniques.

In this course, students with introductory information technology skills will learn to analyze and design information systems. The course introduces students to the structured and object-oriented analysis and design, use of modeling tools, adherence to methodological life cycle, and project management standards. This course examines the system development and modification process. It emphasizes the factors for effective communication and integration with users and user systems. It encourages interpersonal skills development. Students with the basic life of information technology will learn to gather information in order to identify problems to be solved. They will determine system requirements and a logical design for the information system. A project of limited scope will be designed during this course.

Students will investigate alternative solutions and will determine the feasibility of solutions. They will identify value added by the completion of the system. Students will be exposed to methods to support each stage of the development process.

• Course Syllabus

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First Principles and Machine Learning-Based Analyses of Stability and Reactivity Trends for High-Entropy Alloy Catalysts

Since its inception, the field of heterogeneous catalysis has evolved to address the needs of the ever-growing human population. Necessity, after all, fosters innovation. Today, the world faces numerous challenges related to anthropogenic climate change, and that has necessitated, among other things, a search for new catalysts that can enable renewable energy conversion and storage, sustainable food and chemicals production, and a reduction in carbon emissions. This search has led to the emergence of many promising classes of materials, each having a unique set of catalytic properties. Among such candidate materials, high-entropy alloys (HEAs) have very recently shown the potential to be a new catalyst design paradigm. HEAs are multimetallic, disordered alloys containing more than four elements and, as a result, possess a higher configurational entropy, which gives them considerable stability. They have many conceivable benefits over conventional bimetallic alloy catalysts—greater site heterogeneity, larger design space, and higher stability, among others­. Consequently, there is a need to explore their application in a wide range of thermal and electrocatalytic reaction systems so that their potential can be realized.

In the past few decades, first principles-based approaches involving Density Functional Theory (DFT) calculations have proven to be effective in probing catalytic mechanisms at the atomic scale. Fundamental insights from first principles studies have also led to a detailed understanding of reactivity and stability trends for bimetallic alloy catalysts. However, the express application of first principles approaches to study HEA catalysts remains a challenge, due to the large computational cost incurred in performing DFT calculations for disordered alloys, which can be represented by millions of different configurations. A combination of first principles approaches and computationally efficient machine learning (ML) approaches can, however, potentially overcome this limitation.

In this thesis, combined workflows involving first principles and machine learning-based approaches are developed. To map catalyst structure to properties graph convolutional network (GCN) models are developed and trained on DFT-predicted target properties such as formation energies, surface energies, and adsorption energies. Further, the Monte Carlo dropout method is integrated into GCN models to provide uncertainty quantification, and these models are in turn used in active learning workflows that involve iterative model retraining to both improve model predictions and optimize the target property value. Dimensionality reduction methods, such as principal components analysis (PCA) and Diffusion Maps (DMaps), are used to glean physicochemical insights from the parameterization of the GCN.

These workflows are applied to the analysis of binary, ternary, and quaternary alloy catalysts, and a series of fundamental insights regarding their stability are elucidated. In particular, the origin and stability of “Pt skins” that form on Pt-based bimetallic alloys such as Pt 3 Ni in the context of the oxygen reduction reaction (ORR) are investigated using a rigorous surface thermodynamic framework. The active learning workflow enables the study of Pt skin formation on stepped facets of Pt 3 Ni (with a complex, low-symmetry geometry), and this analysis reveals a hitherto undiscovered relationship between surface coordination and surface segregation. In another study, an active learning workflow is used to identify the most stable bulk composition in the Pd-Pt-Sn ternary alloy system using a combination of exhaustively sampled binary alloy data and prudently sampled ternary alloy data. Lastly, a new GCN model architecture, called SlabGCN, is introduced to predict the sulfur poisoning characteristics of quaternary alloy catalysts, and to find an optimal sulfur tolerant composition.

On another front, the electrocatalytic activity of quinary HEAs towards the ORR is investigated by performing DFT calculations on HEA structures generated using the High-Entropy Alloy Toolbox (HEAT), an in-house code developed for the high-throughput generation and analysis of disordered alloy structures with stability constraints (such as Pt skin formation). DFT-predicted adsorption energies of key ORR intermediates are further deconvoluted into ligand, strain, and surface relaxation effects, and the influence of the number of Pt skins on these effects is expounded. A Sabatier volcano analysis is performed to calculate the ORR activities of selected HEA compositions, and correspondence between theoretical predictions and experimental results is established, to pave the way for rational design of HEA catalysts for oxygen reduction.

In summary, this thesis examines stability and reactivity trends of a multitude of alloy catalysts, from conventional bimetallic alloys to high-entropy alloys, using a combination of first principles approaches (involving Density Functional Theory calculations) and machine learning approaches comprising graph convolutional network models.

Data Science-Driven Discovery of Multimetallic Oxygen-cycle Electrocatalysts for Enhanced Energy Conversion

Office of Basic Energy Sciences

Degree Type

• Doctor of Philosophy
• Chemical Engineering

Campus location

• West Lafayette

Advisor/Supervisor/Committee Chair

Additional committee member 2, additional committee member 3, additional committee member 4, usage metrics.

• Chemical engineering not elsewhere classified
• Catalysis and mechanisms of reactions