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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:

Miron, Radu Alexandru

Title:

A journey across time scales: accelerated atomistic simulation of surface growth

Graduate Program:

Physics

Keywords:

molecular dynamics
simulation
accelerated
surface
growth
heteroepitaxy
small barrier
parallel

File:

Download althesis.pdf

Committee Members:

Kristen Ann Fichthorn, Committee Chair/Co-Chair
Milton Walter Cole, Committee Member
Vincent Henry Crespi, Committee Member
Janna Kay Maranas, Committee Member
Jayant Banavar, Committee Member

Author:

Dellostritto, Mark Joseph

Title:

MODELLING THE STRUCTURE AND DYNAMICS OF H-BOND NETWORKS AT OXIDE-WATER INTERFACES: FROM NEUTRON SPECTROSCOPY TO SUM FREQUENCY GENERATION

Graduate Program:

Physics

Keywords:

water
oxide
molecular dynamics
sum frequency generation
hydrogen bond
network
neutron
polarizability
density functional theory

File:

Download Thesis_mjd1056_Final.pdf

Committee Members:

Jorge Sofo, Dissertation Advisor/Co-Advisor
Jorge Sofo, Committee Chair/Co-Chair
Milton Cole, Committee Member
Mauricio Terrones, Committee Member
Lasse Jensen, Outside Member