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Author:

Bui, Pho

Title:

Nonadditive Effects of Cosolvent Mixtures on Protein Stability in Aqueous Solutions

Graduate Program:

Chemistry (PHD)

Keywords:

nonadditivity
ion specific effects
ion-pairing
cosolvent
protein stability
complex solutions
vibrational spectroscopy

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Committee Members:

Paul Cremer, Chair & Dissertation Advisor
William Noid, Major Field Member
Tae-Hee Lee, Major Field Member
Lauren Zarzar, Major Field Member
Philip Bevilacqua, Program Head/Chair
Seong Kim, Outside Unit & Field Member

Author:

Yan, Tianyu

Title:

Shape control and shape transformations of metal nanocrystals: insights from molecular dynamics simulations

Graduate Program:

Chemical Engineering (PHD)

Keywords:

shape control
metal nanocrystal growth
molecular dynamics simulation
solution-phase synthesis

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Committee Members:

Xueyi Zhang, Major Field Member
Kristen Fichthorn, Chair & Dissertation Advisor
Scott Milner, Major Field Member
Adri van Duin, Outside Unit & Field Member
Seong Kim, Professor in Charge/Director of Graduate Studies

Author:

Judd, Kenneth Duane

Title:

Investigating Specific Cation Interactions with Anionic Surfactant Monolayers at the Air/Water Interface Using Nonlinear Spectroscopy and Thermodynamics

Graduate Program:

Chemistry (PHD)

Keywords:

ion pairing
ion specific effects
monolayers
spectroscopy
nonlinear optics
vibrational spectroscopy
thermodynamics
surfactants

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Committee Members:

Paul Cremer, Chair & Dissertation Advisor
Benjamin Lear, Major Field Member
Seong Kim, Outside Unit & Field Member
Mark Maroncelli, Major Field Member
Philip Bevilacqua, Program Head/Chair

Author:

Lin, Yinan

Title:

Mixed Modifier Effect in Aluminosilicate Glasses

Graduate Program:

Materials Science and Engineering (PHD)

Keywords:

aluminosilicate-based glass
dissolution
dynamic
mixed modifier effect.
aluminosilicate glass
mixed modifier effect
mechanical
glass transition

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Committee Members:

Hojong Kim, Major Field Member
John Mauro, Chair & Dissertation Advisor
John Mauro, Program Head/Chair
Robert Kimel, Major Field Member
Seong Kim, Outside Unit & Field Member

Author:

Bell, Kirsten

Title:

Photocatalytic Polymer Brush Functionalized Glass Beads for Enhanced Heterogeneous Photocatalysis

Graduate Program:

Chemical Engineering (PHD)

Keywords:

photocatalysis
photocatalysts
heterogeneous
polymerizations
controlled radical polymerizations

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Committee Members:

Robert Hickey, Outside Unit & Field Member
Bryan Vogt, Major Field Member
Robert Rioux, Major Field Member
Christian Pester, Chair & Dissertation Advisor
Seong Kim, Professor in Charge/Director of Graduate Studies

Author:

Tran, Hoang

Title:

Electrocatalysis at the Electrode/Electrolyte Interface: a Multiscale Molecular Model

Graduate Program:

Chemical Engineering (PHD)

Keywords:

Electrocatalysis
Molecular modeling
DFT
Molecular dynamics

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Committee Members:

Robert Rioux, Major Field Member
Scott Milner, Co-Chair & Dissertation Advisor
Ismaila Dabo, Outside Unit & Field Member
Michael Janik, Co-Chair & Dissertation Advisor
Adri van Duin, Major Field Member
Seong Kim, Professor in Charge/Director of Graduate Studies

Author:

Jahanmahin, Omid

Title:

STUDYING THE UNDERLYING MECHANISMS OF NANOPARTICLE ASSEMBLY AND ATTACHMENT: INSIGHTS FROM MONTE CARLO AND MOLECULAR DYNAMICS SIMULATIONS

Graduate Program:

Chemical Engineering (PHD)

Keywords:

Directed self-assembly
semiconductor
insulator
Monte Carlo simulation
COMSOL simulation
surface element integration
Dielectrophoresis (DEP)
Oriented Attachment (OA)
Atomic-scale investigations
Rare event sampling
Umbrella sampling
MD simulation
In silico studies
Reactive force field (ReaxFF)
Gold nanowire (NW) self-assembly
Nanoparticle assembly
Surface element integration (SEI)
Semiconductor
Insulator
Dielectric particles

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Committee Members:

Kristen Fichthorn, Chair & Dissertation Advisor
Christine Keating, Outside Unit & Field Member
Darrell Velegol, Major Field Member
Seong Kim, Professor in Charge/Director of Graduate Studies
Themis Matsoukas, Major Field Member

Author:

Lin, Yen Ting

Title:

Understanding glass-water interactions by spectroscopic investigation of surface structure

Graduate Program:

Chemical Engineering (PHD)

Keywords:

Glass surface
AFM-IR
Water Adsorption
Spectroscopy
Material Interfaces

File:

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Committee Members:

Bryan Vogt, Major Field Member
Seong Kim, Chair & Dissertation Advisor
Themis Matsoukas, Major Field Member
John Mauro, Outside Unit & Field Member
Seong Kim, Professor in Charge/Director of Graduate Studies
Christian W. Pester, Special Signatory

Author:

Khan, Mohd Ahmed

Title:

Size and Temperature Dependent Shapes of Copper Nanocrystals using Replica-Exchange Molecular Dynamics Simulations

Graduate Program:

Chemical Engineering (MS)

Keywords:

copper
replica exchange molecular dynamics
common neighbor analysis
embedded atom method

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Committee Members:

Seong Kim, Professor in Charge/Director of Graduate Studies
Kristen Fichthorn, Thesis Advisor/Co-Advisor
Ali Borhan, Committee Member
Ismaila Dabo, Committee Member

Author:

Kim, Junseok

Title:

The role of halides in the anisotropic growth of fcc nanocrystals

Graduate Program:

Chemical Engineering (PHD)

Keywords:

fcc nanocrystals
anisotropic growth
density functional theory (DFT)
multi-scale theory
halide
solution-phase

File:

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Committee Members:

Kristen Fichthorn, Chair & Dissertation Advisor
Lasse Jensen, Outside Unit & Field Member
Michael Janik, Major Field Member
Adri van Duin, Major Field Member
Seong Kim, Professor in Charge/Director of Graduate Studies