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Author:

Kisselev, Alexei M.

Title:

Theoretical and Computer Simulation Insights into Stimuli-Responsive Polymer Systems

Graduate Program:

Physics

Keywords:

solution thermodynamics
aqueous polymer solutions
copolymers
polymer systems
light-responsive
temperature-responsive
stimuli-responsive
phase diagrams
equation of state
hydrogen bonding
molecular dynamics

File:

Download Kisselev-Dissertation.pdf

Committee Members:

Evangelos Manias, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Chair/Co-Chair
Milton Walter Cole, Committee Member
Leonid Berlyand, Committee Member

Author:

Barbu, Corina Madalina

Title:

Modelling of synthetic molecular motors and self-assembled monolayers

Graduate Program:

Physics

Keywords:

self-assembled monolayers
rotary motors
electric field
dipolar rotor
power law

File:

Download Corina_Barbu-Dissertation.pdf

Committee Members:

Vincent Henry Crespi, Dissertation Advisor/Co-Advisor
Vincent Henry Crespi, Committee Chair/Co-Chair
Paul S Weiss, Committee Member
Jorge Osvaldo Sofo, Committee Member
Richard Wallace Robinett, Committee Member

Author:

Stucke, David Patrick

Title:

CRYSTAL LATTICE OPTIMIZATION AND NEW FORMS OF SILICON

Graduate Program:

Physics

Keywords:

Global Optimization
Genetic Algorithm
Crystal Structure
Silicon Multiple Bonds

File:

Download stucke-thesis-final.pdf

Committee Members:

Vincent Henry Crespi, Committee Chair/Co-Chair
Jainendra Jain, Committee Member
Jorge Osvaldo Sofo, Committee Member
Theresa Stellwag Mayer, Committee Member

Author:

Margine, Elena Roxana

Title:

Modelling of electronic and vibrational properties of carbon nanostructures

Graduate Program:

Physics

Keywords:

electronic structure
nanoporous carbon
carbon nanotube
phonons
doping

File:

Download roxana-thesis.pdf

Committee Members:

Peter C Eklund, Committee Member
Vincent Henry Crespi, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
Henry C Foley, Committee Member

Author:

Liu, Guoxing

Title:

RESONANT ULTRASOUND SPECTROSCOPY AND SOLID HELIUM RESEARCH

Graduate Program:

Physics

Keywords:

resonant ultrasound spectroscopy
Helium

File:

Download Thesis_G._Liu.pdf

Committee Members:

Julian Decatur Maynard Jr., Dissertation Advisor/Co-Advisor
Julian Decatur Maynard Jr., Committee Chair/Co-Chair
Moses Hung Wai Chan, Committee Member
Jorge Osvaldo Sofo, Committee Member
Victor Ward Sparrow, Committee Member

Author:

Cai, Jianwei

Title:

THE THERMOELECTRIC PROPERTIES OF STRONGLY CORRELATED SYSTEMS

Graduate Program:

Physics

Keywords:

thermoelectric
electron correlation
transport properies

File:

Download Jianwei_Cai-Dissertation.pdf

Committee Members:

Gerald Dennis Mahan, Dissertation Advisor/Co-Advisor
Gerald Dennis Mahan, Committee Chair/Co-Chair
Jainendra Jain, Committee Member
Jorge Osvaldo Sofo, Committee Member
John V Badding, Committee Member
Jayanth R Banavar, Committee Member

Author:

Peterson, Michael Ronald

Title:

Perturbative Improvements and Exotic Excitations of Composite Fermions

Graduate Program:

Physics

Keywords:

condensed matter physics
fractional quantum Hall effect
composite fermions

File:

Download mrp-thesis.pdf

Committee Members:

Jainendra Jain, Committee Chair/Co-Chair
Stephane Coutu, Committee Member
Jorge Osvaldo Sofo, Committee Member
John V Badding, Committee Member
Jayanth R Banavar, Committee Member

Author:

Shen, Ning

Title:

STUDY OF CHEMICAL DOPING OF GRAPHENE ON AMORPHOUS SILICA, ELECTRONIC PROPERTIES OF THE GRAPHENE-FLUORINE SUPER-LATTICE AND INTERACTIONS OF GRAPHENE WITH ATOMIC FLUORINE

Graduate Program:

Physics

Keywords:

graphene fluoride
density functional theory
graphene
edge states

File:

Download ETD_Ning.pdf

Committee Members:

Jorge Osvaldo Sofo, Dissertation Advisor/Co-Advisor
Jorge O Sofo, Committee Chair/Co-Chair
Milton Walter Cole, Committee Member
Tom Mallouk, Committee Member
Melik C Demirel, Committee Member

Author:

Neogi, Sanghamitra

Title:

TRANSPORT IN NONLINEAR CHAINS AND ACROSS SEVERAL CONDENSED MATTER INTERFACES

Graduate Program:

Physics

Keywords:

Solitons
one-dimensional lattice
pair distribution function
Kapitza resistance at interfaces

File:

Download SN-Dissertation.pdf

Committee Members:

Gerald Dennis Mahan, Dissertation Advisor/Co-Advisor
Gerald Dennis Mahan, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
Jun Zhu, Committee Member
John V Badding, Committee Member

Author:

Scheidemantel, Thomas John

Title:

Pressure Tuning of Pnicogen Chalcogenide Thermoelectrics

Graduate Program:

Physics

Keywords:

Semiconductor
High Pressure
Thermoelectricity

File:

Download thesis_11pt.pdf

Committee Members:

Peter E Schiffer, Committee Member
Gerald Dennis Mahan, Committee Chair/Co-Chair
John V Badding, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
James Bernhard Anderson, Committee Member

Author:

Liu, Xiaoming

Title:

BORON DOPING OF SINGLE WALLED CARBON NANOTUBES

Graduate Program:

Physics

Keywords:

Carbon nanotube
boron doping
conducting films

File:

Download Xiaoming_Liu_Thesis.pdf

Committee Members:

Peter C Eklund, Dissertation Advisor/Co-Advisor
Nitin Samarth, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
Vincent Henry Crespi, Committee Member
John V Badding, Committee Member
Jayanth R Banavar, Committee Member

Author:

Huang, ZhaoHui

Title:

MATERIALS DESIGN OF SUBSTRATES FOR GAS ADSORPTION AND STORAGE

Graduate Program:

Physics

Keywords:

hydrogen release kinetics
chemical hydrogen storage
metal aggregation

File:

Download Dissertation.pdf

Committee Members:

Vincent Henry Crespi, Dissertation Advisor/Co-Advisor
Vincent Henry Crespi, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
Nitin Samarth, Committee Member
Kristen Ann Fichthorn, Committee Member

Author:

Criss, Adrienne Elizabeth

Title:

Atmospherics effects on events measured by the Pierre Auger Observatory surface detector

Graduate Program:

Physics

Keywords:

cosmic rays
ultra-high energy
Pierre Auger Observatory
atmosphere
atmospheric effects

File:

Download AdrienneCrissFinal.pdf

Committee Members:

Paul Sommers, Dissertation Advisor/Co-Advisor
Paul Sommers, Committee Chair/Co-Chair
Stephane Coutu, Committee Member
Tyce De Young, Committee Member
Peter Istvan Meszaros, Committee Member
Jorge Osvaldo Sofo, Committee Member

Author:

Kumar, Nitin

Title:

Ab Initio Molecular Dynamics Study of Water Dissociation and Proton Dynamics on Rutile and Cassiterite Surfaces

Graduate Program:

Physics

Keywords:

rutile(110)
interface
rutile water interface
proton jump
cassiterite water interface
water dissociation
ab initio

File:

Download Thesis_NitinKumar_2012May_Physics.pdf

Committee Members:

Jorge Osvaldo Sofo, Dissertation Advisor/Co-Advisor
Jorge Osvaldo Sofo, Committee Chair/Co-Chair
Renee Denise Diehl, Committee Member
Reka Z Albert, Committee Member
Coray M Colina, Committee Member

Author:

Chia, Cheng Ing

Title:

Geometrically constrained nanoscale materials

Graduate Program:

Physics

Keywords:

DFT
graphene
topological frustration
nanoribbon

File:

Download CIChia-Dissertation.pdf

Committee Members:

Vincent Henry Crespi, Dissertation Advisor/Co-Advisor
Jorge Osvaldo Sofo, Committee Member
Jun Zhu, Committee Member
Thomas E Mallouk, Committee Member

Author:

Suarez, Alejandro M

Title:

Theory and Simulation of Atomic Hydrogen, Fluorine, and Oxygen on Graphene

Graduate Program:

Physics

Keywords:

graphene
adsorption
surface science
density functional theory
DFT
graphane
fluorographene
graphene oxide

File:

Download AMSuarez_Thesis_2012_v22_FINAL.pdf

Committee Members:

Jorge Osvaldo Sofo, Dissertation Advisor/Co-Advisor
Jorge Osvaldo Sofo, Committee Chair/Co-Chair
Jun Zhu, Committee Member
Milton Walter Cole, Committee Member
Srinivas A Tadigadapa, Committee Member

Author:

Puls, Conor P

Title:

Electronic Band Structure Effects in Monolayer, Bilayer, and Hybrid Graphene Structures

Graduate Program:

Physics

Keywords:

graphene
bilayer
hybrid
band gap engineering
impurity scattering
Ca3Ru2O7

File:

Download ConorPuls-Dissertation.pdf

Committee Members:

Dr Ying Liu, Dissertation Advisor/Co-Advisor
Jorge Osvaldo Sofo, Committee Member
Qi Li, Committee Member
Thomas E Mallouk, Committee Member

Author:

Liang, Jing

Title:

Hybrid magnetic/semiconductor nanowires: synthesis and characterization

Graduate Program:

Physics

Keywords:

core/shell nanowire
spintronics
AMR effect
catalyst-free

File:

Download Jing-Dissertation.pdf

Committee Members:

Nitin Samarth, Dissertation Advisor/Co-Advisor
Nitin Samarth, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
Qi Li, Committee Member
Suman Datta, Committee Member

Author:

Iordanov, Ivan Olegov

Title:

Theoretical Modelling of Photoelectron Spectroscopy of Transition Metal Clusters

Graduate Program:

Physics

Keywords:

Photo-electron Spectroscopy
Density Functional Theory
Molecular Clusters
Franck-Condon Factors
Vibrational States

File:

Download Ivan_Iordanov_thesis_postreview_final.pdf

Committee Members:

Jorge Osvaldo Sofo, Dissertation Advisor/Co-Advisor
Jorge Osvaldo Sofo, Committee Chair/Co-Chair
Vincent Henry Crespi, Committee Member
Gerald Dennis Mahan, Committee Member
Albert Welford Castleman Jr., Committee Member

Author:

Cheng, Zhigang

Title:

Thermodynamic Properties of Helium in Porous Media

Graduate Program:

Physics

Keywords:

helium
heat capacity
thermal conductivity
porous media

File:

Download Dissertation_Zhigang_Cheng.pdf

Committee Members:

Moses Hung Wai Chan, Dissertation Advisor/Co-Advisor
Jainendra Jain, Committee Member
Thomas E Mallouk, Committee Member
Julian Decatur Maynard Jr., Committee Member
Jorge Osvaldo Sofo, Committee Member

Author:

Rench, David William

Title:

Investigation of Nanoscale Magnetic Materials and Devices

Graduate Program:

Physics

Keywords:

Nanotechnology
magnetic
semiconductors
spintronics
spin
ice
topological
insulator

File:

Download DaveRench_Dissertation.pdf

Committee Members:

Nitin Samarth, Dissertation Advisor/Co-Advisor
Peter E Schiffer, Committee Member
Jorge Osvaldo Sofo, Committee Member
Roman Engel Herbert, Committee Member
Nitin Samarth, Committee Chair/Co-Chair

Author:

Dulny, Joseph Stephen

Title:

Kinetic Monte Carlo Simulation of Vacancy and Adatom Diffusion in Ag(111) with a monolayer C60 adsorbate

Graduate Program:

Physics

Keywords:

Vacancies
Adatoms
Diffusion
Ag
Au
C60
Buckyball
Surface Physics
Kinetic Monte Carlo

File:

Download JosephDulnyIII-Dissertation.pdf

Committee Members:

Renee Denise Diehl, Dissertation Advisor/Co-Advisor
Julian Decatur Maynard Jr., Committee Member
Jorge Osvaldo Sofo, Committee Member
Long Qing Chen, Committee Member

Author:

Raju, Muralikrishna

Title:

Applications of Molecular Dynamics, Monte Carlo and Metadynamics Simulations using ReaxFF Reactive Force Fields to Fluid/Solid Interfaces

Graduate Program:

Physics

Keywords:

Computational Chemistry
ReaxFF Reactive Force Fields
Fluid/Solid Interfaces
Titania-Water Interactions
Li/C ReaxFF

File:

Download Muralikrishna_Raju_Dissertation.pdf

Committee Members:

Kristen Ann Fichthorn, Committee Chair/Co-Chair
Adrianus C Van Duin, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
Milton Walter Cole, Committee Member
James David Kubicki, Committee Member

Author:

Sun, Zhongyao

Title:

Analysis and Logical Modeling of Biological Signaling Transduction Networks

Graduate Program:

Physics

Keywords:

network science
biological networks
discrete dynamics
Boolean network
system biology
network modeling
signal transduction

File:

Download Dissertation_Zhongyao_Sun.pdf

Committee Members:

Reka Z Albert, Dissertation Advisor/Co-Advisor
Reka Z Albert, Committee Chair/Co-Chair
Dezhe Jin, Committee Member
Jorge Osvaldo Sofo, Committee Member
John Fricks, Committee Member

Author:

Engstrom, Tyler Adam

Title:

Topics in solid-state astrophysics: magnetized neutron star crusts and multicomponent crusts/white dwarfs

Graduate Program:

Physics

Keywords:

neutron stars
white dwarfs
dense matter
magnetic fields
numerical methods

File:

Download TylerEngstrom-Dissertation.pdf

Committee Members:

Vincent Henry Crespi, Dissertation Advisor/Co-Advisor
Vincent Henry Crespi, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
Benjamin Owen, Committee Member
James Joseph Brannick, Committee Member
George Pavlov, Special Member

Author:

Liang, Sangzi

Title:

Electronic Transport in Functionalized Graphene: from Strong Chemisorption to Weakly Bonded Adsorbates

Graduate Program:

Physics

Keywords:

graphene
conductivity
functionalization
gas sensor

File:

Download dissertation.pdf

Committee Members:

Jorge Osvaldo Sofo, Dissertation Advisor/Co-Advisor
Jorge Osvaldo Sofo, Committee Chair/Co-Chair
Vincent Henry Crespi, Committee Member
Jainendra Jain, Committee Member
Srinivas A Tadigadapa, Special Member

Author:

Aditya, Piali Mitil

Title:

Direct fluorination of graphene: A theoretical and computational study of its formation and of the resulting magnetic and electronic properties

Graduate Program:

Physics

Keywords:

graphene
fluorine
DFT
spin
magnetic moment
adatom
adsorption

File:

Download PialiMAditya-Dissertation.pdf

Committee Members:

Jorge Osvaldo Sofo, Dissertation Advisor/Co-Advisor
Jorge Osvaldo Sofo, Committee Chair/Co-Chair
Kristen Ann Fichthorn, Committee Member
Renee Denise Diehl, Committee Member
Mauricio Terrones Maldonado, Committee Member

Author:

Tang, Youjian

Title:

Two Dimensional Layered materials: First-principle Investigation

Graduate Program:

Physics

Keywords:

Two Dimensional
graphene
First-Principle
transition metal dichalcogenides

File:

Download Tang-Dissertation.pdf

Committee Members:

Vincent Henry Crespi, Dissertation Advisor/Co-Advisor
Jun Zhu, Committee Member
Jorge Osvaldo Sofo, Committee Member
Zi Kui Liu, Committee Member

Author:

Coimbatore Balram, Ajit

Title:

Exotic emergent phenomena in the fractional quantum Hall effect

Graduate Program:

Physics

Keywords:

FQHE
topological phases
composite fermions

File:

Download ACB_Dissertation.pdf

Committee Members:

Jainendra Jain, Dissertation Advisor/Co-Advisor
Jainendra Jain, Committee Chair/Co-Chair
Nitin Samarth, Committee Member
Jorge Osvaldo Sofo, Committee Member
Thomas E Mallouk, Committee Member

Author:

Xu, Enshi

Title:

COMPUTATIONAL STUDY OF CARBON NANOMATERIALS: NANOTHREADS AND NANOPOROUS CARBON

Graduate Program:

Physics

Keywords:

Nanothread
Density Functional Theory
Carbon Nano-materials
Schwarzites
Raman Spectroscopy

File:

Download Dissertation_Enshi_July8.pdf

Committee Members:

Vincent Henry Crespi, Dissertation Advisor/Co-Advisor
Mauricio Terrones Maldonado, Committee Member
Jorge Osvaldo Sofo, Committee Member
John V. Badding, Outside Member

Author:

Wang, Yuanxi

Title:

Theory of two-dimensional materials: synthesis, properties, and structural engineering

Graduate Program:

Physics

Keywords:

two-dimensional materials
density functional theory

File:

Download main.pdf

Committee Members:

Vincent Henry Crespi, Dissertation Advisor/Co-Advisor
Vincent Henry Crespi, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
Mauricio Terrones Maldonado, Committee Member
Thomas E Mallouk, Outside Member

Author:

Mubin, Shafat A

Title:

Theory of Thermodynamics and Kinetics of Benzene Adsorption on Ag(111)

Graduate Program:

Physics

Keywords:

Benzene
Monolayer
Desorption
Accelerated MD
Bond-boost Method
Force-field
Order-disorder
Ag(111)
TPD
Substrate-mediated Interaction
Molecular Dynamics
Surface Defects

File:

Download Mubin-Dissertation_13Dec16.pdf

Committee Members:

Kristen Ann Fichthorn, Dissertation Advisor/Co-Advisor
Kristen Ann Fichthorn, Committee Chair/Co-Chair
Milton Walter Cole, Committee Member
Jorge Osvaldo Sofo, Committee Member
Adrianus C Van Duin, Outside Member

Author:

Cooper, Brian C

Title:

NOVEL SYNTHETIC METHODS AND CHARACTERIZATION STUDIES OF NIOBIUM-DISULFIDE IN MULTIPLE GEOMETRIES

Graduate Program:

Physics

Keywords:

NbS2
Layered Transition Metal Dichalcogenide

File:

Download BrianCCooperDissertation.pdf

Committee Members:

Mauricio Terrones, Dissertation Advisor/Co-Advisor
Mauricio Terrones, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
Nitin Samarth, Committee Member
Thomas E Mallouk, Outside 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:

Wang, Tao

Title:

THEORY OF NANOTHREADS: ENUMERATION, STRUCTURE IDENTIFICATION, AND PROPERTIES

Graduate Program:

Physics

Keywords:

Nanothreads
Density Functional Theory
Enumeration
Structure Identification
Solid State NMR

File:

Download Dissertation_TaoWang.pdf

Committee Members:

Vincent H.Crespi, Dissertation Advisor/Co-Advisor
Vincent Henry Crespi, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
John V Badding, Committee Member
Adrianus C Van Duin, Outside Member

Author:

Madhukar Mallayya, Krishnanand

Title:

Relaxation dynamics of isolated quantum systems in the thermodynamic limit

Graduate Program:

Physics

Keywords:

Numerical Linked Cluster Expansions
Quantum Many Body Dynamics
Prethermalization
Thermalization
Isolated quantum systems

File:

Download Krishnanand_Thesis.pdf

Committee Members:

Marcos Antonio Rigol, Dissertation Advisor/Co-Advisor
Marcos Antonio Rigol, Committee Chair/Co-Chair
Jorge Osvaldo Sofo, Committee Member
Kenneth O'Hara, Committee Member
Mark Levi, Outside Member
Nitin Samarth, Program Head/Chair