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Start Over Degree PHD Year 2015 Committee Member Adrianus C Van Duin Keyword DFT

1. Development of Multi-scale Computational Methods for Modeling Phase Formation in Pd-Based Catalysts

open_access
Open Access
Author:
Senftle, Thomas Patrick
Title:
Development of Multi-scale Computational Methods for Modeling Phase Formation in Pd-Based Catalysts
Graduate Program:
Chemical Engineering
Keywords:
Catalysis
DFT
ReaxFF
Palladium
Ceria
File:
Download Senftle_Dissertation_Final.pdf
Committee Members:
Michael John Janik, Dissertation Advisor/Co-Advisor
Michael John Janik, Committee Chair/Co-Chair
Adrianus C Van Duin, Committee Chair/Co-Chair
Robert Martin Rioux Jr., Committee Member
Scott Thomas Milner, Committee Member

2. Describing the Electronic Structure of Molecules on Metal Surfaces

open_access
Open Access
Author:
Moore, Justin Edward
Title:
Describing the Electronic Structure of Molecules on Metal Surfaces
Graduate Program:
Chemistry
Keywords:
Electronic Structure
DFT
SERS
LC Functionals
Orbital Renormalization
QMR
File:
Download JustinMoore-PSUThesis.pdf
Committee Members:
Lasse Jensen, Dissertation Advisor/Co-Advisor
Lasse Jensen, Committee Chair/Co-Chair
Adrianus C Van Duin, Committee Member
Benjamin James Lear, Committee Member
Gerald Knizia, Committee Member