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Author:

Yeh, Kuan-yu

Title:

Atomistic Modeling Of The Cathode/electrolyte Interface In Proton Exchange Membrane Fuel Cells

Graduate Program:

Chemical Engineering

Keywords:

fuel cells
oxygen reduction reaction
electrochemical interface
DFT models
MD simulations

File:

Download YEH_Kuan-Yu_Dissertation_9_27_submit_700dpi_2.pdf

Committee Members:

Michael John Janik, Dissertation Advisor/Co-Advisor
Janna Kay Maranas, Committee Member
Darrell Velegol, Committee Member
Michael Anthony Hickner, Committee Member

Author:

Shetty, Shreya

Title:

Predicting molecular structure-property relationship using molecular dynamic simulations

Graduate Program:

Chemical Engineering

Keywords:

MD simulations
Nematic Coupling
Flory Huggins Interaction parameter
SCFT
Mutual Ghosting
Morphing

File:

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Committee Members:

Christian Pester, Major Field Member
Ismaila Dabo, Outside Unit & Field Member
Adri van Duin, Major Field Member
Seong Han Kim, Professor in Charge/Director of Graduate Studies
Enrique Gomez, Co-Chair & Dissertation Advisor
Scott Milner, Co-Chair & Dissertation Advisor

Author:

Sitarik, Ian

Title:

understanding the fundamental principles behind the influences of native and non-native entanglements on protein structure, function, and misfolding

Graduate Program:

Chemistry

Keywords:

Protein folding
protein entanglements
protein misfolding
synonymous mutations
MD simulations
proteomics
non-covalent lasso entanglements

File:

Download Ian_Sitarik_PennState_Thesis_v3.3.pdf

Committee Members:

William Noid, Major Field Member
Arthur Lesk, Outside Unit & Field Member
Mark Hedglin, Major Field Member
Edward O'Brien, Chair & Dissertation Advisor
Kenneth Knappenberger, Program Head/Chair