Keyword: molecular dynamics - Blacklight Search Results

Open Access

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

Open Access

Author:: Kamat, Amar
Title:: APPLICATION OF REAXFF BASED REACTIVE MOLECULAR DYNAMICS TO SIMULATE LASER INDUCED INCANDESCENCE OF SOOT AND CHAR OXIDATION
Graduate Program:: Mechanical Engineering
Keywords:: laser induced incandescence
soot
reaxff
molecular dynamics
accommodation coefficients
File:: Download Kamat_Thesis_Feb7.pdf
Committee Members:: Prof Adri Van Duin, Thesis Advisor/Co-Advisor
Adrianus C Van Duin, Thesis Advisor/Co-Advisor

Open Access

Author:: Borner, Arnaud
Title:: DROPLET VAPORIZATION OF N-HEPTANE IN SUBCRITICAL CONDITIONS USING MOLECULAR DYNAMICS
Graduate Program:: Aerospace Engineering
Keywords:: n-heptane
vaporization
Droplets
molecular dynamics
File:: Download MasterThesis_v3_Arnaud_Borner.pdf
Committee Members:: Michael Matthew Micci, Thesis Advisor/Co-Advisor
Michael Matthew Micci, Thesis Advisor/Co-Advisor

Open Access

Author:: Smiley Jr., Edward J
Title:: MOLECULAR DYNAMICS SIMULATIONS OF ATOMIC AND CLUSTER BOMBARDED SURFACES
Graduate Program:: Chemistry
Keywords:: molecular dynamics
secondary ion mass spectrometry
cluster
C60
File:: Download 11-04-06Thesis.pdf
Committee Members:: Nicholas Winograd, Committee Chair/Co-Chair
Barbara Jane Garrison, Committee Chair/Co-Chair
Peter C Jurs, Committee Member
Vincent Henry Crespi, Committee Member

Open Access

Author:: Muddana, Hari Shankar
Title:: Molecular scale spectroscopy and simulation of stressed lipid bilayers
Graduate Program:: Bioengineering
Keywords:: lipid bilayers
molecular dynamics
fluorescence spectroscopy
membranes
File:: Download Muddana_Dissertation.pdf
Committee Members:: Peter J Butler, Dissertation Advisor/Co-Advisor
Peter J Butler, Committee Chair/Co-Chair
William O Hancock, Committee Member
Cheng Dong, Committee Member
Sulin Zhang, Committee Member

Open Access

Author:: Ryan, Kathleen Elizabeth
Title:: Molecular Dynamics Simulations of Energetic Particle Bombardment of Molecular Solids
Graduate Program:: Chemistry
Keywords:: particle bombardment
simulations
molecular dynamics
secondary ion mass spectrometry
SIMS
File:: Download KERyanThesis6-24-09.pdf
Committee Members:: Barbara Jane Garrison, Dissertation Advisor/Co-Advisor
Barbara Jane Garrison, Committee Chair/Co-Chair
Sharon Hammes Schiffer, Committee Member
Nicholas Winograd, Committee Member
Deborah A Levin, Committee Member

Open Access

Author:: Veeraraghavan, Narayanan
Title:: CATALYTIC AND STRUCTURAL ROLES OF NUCLEOBASES AND METAL IONS IN SMALL RIBOZYMES: NEW INSIGHTS FROM CALCULATIONS AND COMPARISON TO EXPERIMENTS
Graduate Program:: Integrative Biosciences
Keywords:: NLPB
reverse GU wobble
wobble
ribozyme
RNA
molecular dynamics
HDV
File:: Download NVeeraraghavan-eTD.pdf
Committee Members:: Prof Sharon Hammes Schiffer, Dissertation Advisor/Co-Advisor
Philip C. Bevilacqua, Committee Chair/Co-Chair
Sharon Hammes Schiffer, Committee Chair/Co-Chair
William George Noid, Committee Member
Andrey S Krasilnikov, Committee Member
Reka Z Albert, Committee Member

Open Access

Author:: Andia, Pedro C.
Title:: Mechanical Properties of Particle Systems Using a Molecular Dynamics Approach Inspired by Continuum Homogenization
Graduate Program:: Engineering Science and Mechanics
Keywords:: multi-scale materials modeling
molecular dynamics
continuum mechanics
homogenization theory
effective stress
effective strain
File:: Download PCA-Dissertation.pdf
Committee Members:: Francesco Costanzo, Committee Chair/Co-Chair
Gary L Gray, Committee Chair/Co-Chair
Lawrence H Friedman, Committee Member
Russell Messier, Committee Member
Andrew Leonard Belmonte, Committee Member

Open Access

Author:: Conforti, Patrick F
Title:: Molecular dynamics simulations of laser ablation of polymers
Graduate Program:: Chemistry
Keywords:: molecular dynamics
laser ablation
polymethyl methacrylate
photochemistry
File:: Download pconforti_thesis.pdf
Committee Members:: Barbara Jane Garrison, Committee Chair/Co-Chair
Mark Maroncelli, Committee Member
Albert Welford Castleman Jr., Committee Member
Vincent Henry Crespi, Committee Member

Open Access

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

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