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Author:

Depa, Praveen Kumar

Title:

Multiscale Modeling of Polymeric Materials

Graduate Program:

Chemical Engineering

Keywords:

Coarse-graining
Polymers
Bridging length and time scales
Multiscale modeling and simulation

File:

Download Depa_Final_Draft.pdf

Committee Members:

Janna Kay Maranas, Committee Chair/Co-Chair
Kristen Ann Fichthorn, Committee Member
Michael John Janik, Committee Member
Barbara Jane Garrison, Committee Member

Author:

Foley, Thomas Thomassen

Title:

Statistical Mechanics of Coarse-Graining

Graduate Program:

Physics

Keywords:

Coarse-graining
Modeling
Renormalization
Statistical Mechanics
Gaussian Network Model
Complex Networks
Community Detection
Model Selection
Phase Transitions

File:

Download ThomasFoley.pdf

Committee Members:

William George Noid, Dissertation Advisor/Co-Advisor
Jorge Osvaldo Sofo, Committee Chair/Co-Chair
Reka Z Albert, Committee Member
Lu Bai, Committee Member
Lu Bai, Outside Member

Author:

Kidder, Katie

Title:

Investigations of Coarse-Grained Representations

Graduate Program:

Chemistry

Keywords:

Coarse-graining
Information loss
Representations

File:

Download KidderThesis_Final.pdf

Committee Members:

William Noid, Chair & Dissertation Advisor
Lasse Jensen, Major Field Member
Mark Maroncelli, Major Field Member
Jorge Sofo, Outside Unit & Field Member
Philip Bevilacqua, Program Head/Chair

Author:

Agarwala, Puja

Title:

Atomistic simulations to predict semiconducting polymer blend morphology effect on charge transport

Graduate Program:

Chemical Engineering

Keywords:

Semiconducting polymer
Molecular Dynamics
Charge transport
Donor acceptor interface
Coarse-graining
Flory Huggins χ parameter
Electronic coupling
Scattering
Organic photovoltaic
Non-fullerene acceptor
Conjugated polymer

File:

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Committee Members:

Robert Rioux, Professor in Charge/Director of Graduate Studies
Enrique Gomez, Co-Chair & Dissertation Advisor
Scott Milner, Co-Chair & Dissertation Advisor
Michael Janik, Major Field Member
John Asbury, Outside Unit Member
Ismaila Dabo, Outside Field Member