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1. Predicting Stability of Modified Oxide Surfaces with Functional Atomic-Layers for Nano-engineered Catalysts through First Principles Calculations and Statistical Learning

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Open Access
Author:
Jonayat, A S M
Title:
Predicting Stability of Modified Oxide Surfaces with Functional Atomic-Layers for Nano-engineered Catalysts through First Principles Calculations and Statistical Learning
Graduate Program:
Mechanical Engineering
Keywords:
catalysis
monolayer metal oxide
mixed metal oxides
DFT
machine learning
compact sensing
feature selection
LASSO
File:
Download Thesis_ASM_JonayatV3.pdf
Committee Members:
Adri C.T. van Duin, Dissertation Advisor/Co-Advisor
Adri C.T. van Duin, Committee Chair/Co-Chair
Michael J. Janik, Committee Member
Richard Yetter, Committee Member
Lasse Jensen, Outside Member

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