Your selections:

Keyword computational Start Over

1. Understanding the Role of Multiple Pathways in Enzyme Catalysis with a Hierarchical Markov State Model

open_access
Open Access
Author:
Persichetti, Joseph
Title:
Understanding the Role of Multiple Pathways in Enzyme Catalysis with a Hierarchical Markov State Model
Graduate Program:
Chemistry
Keywords:
molecular dynamics
markov state model
QM/MM
enzyme kinetics
alanine dipeptide
dihydrofolate reductase
computational
free-energy simulations
finite-temperature string method
Committee Members:
Lasse Jensen, Major Field Member
Howard Salis, Outside Unit & Field Member
Edward O'Brien, Chair & Dissertation Advisor
Squire Booker, Major Field Member
Philip Bevilacqua, Program Head/Chair

2. Multiscale Modeling of Materials for Clean Energy Storage and Conversion

open_access
Open Access
Author:
Goff, James
Title:
Multiscale Modeling of Materials for Clean Energy Storage and Conversion
Graduate Program:
Materials Science and Engineering
Keywords:
computational
electrochemistry
materials science
energy
atomistic simulation
cluster expansion
density functional theory
molecular dynamics
Monte Carlo
alloy
catalyst
battery
surface science
Committee Members:
Kristen Fichthorn, Minor Field Member
Susan Sinnott, Co-Chair & Dissertation Advisor
John Mauro, Major Field Member
Ismaila Dabo, Co-Chair & Dissertation Advisor
Michael Janik, Outside Unit & Field Member
John Mauro, Program Head/Chair

3. Semiconductor-Solution Interfaces From First Principles

open_access
Open Access
Author:
Campbell, Quinn Thomas
Title:
Semiconductor-Solution Interfaces From First Principles
Graduate Program:
Materials Science and Engineering
Keywords:
first principles
semiconductor interfaces
water splitting
high throughput
computational
silicon
Committee Members:
Ismaila Dabo, Dissertation Advisor/Co-Advisor
Ismaila Dabo, Committee Chair/Co-Chair
Susan B Sinnott, Committee Member
Michael John Janik, Committee Member
Adri van Duin, Outside Member

4. TOWARDS A FLUID-STRUCTURE INTERACTION MODEL OF THE PENN STATE PNEUMATIC PULSATILE PEDIATRIC VENTRICULAR ASSIST DEVICE

open_access
Open Access
Author:
Good, Bryan C
Title:
TOWARDS A FLUID-STRUCTURE INTERACTION MODEL OF THE PENN STATE PNEUMATIC PULSATILE PEDIATRIC VENTRICULAR ASSIST DEVICE
Graduate Program:
Bioengineering
Keywords:
pediatric
fluid-structure interaction
ventricular assist device
computational
Committee Members:
Keefe Manning, Dissertation Advisor/Co-Advisor
Keefe Manning, Committee Chair/Co-Chair
Peter Butler, Committee Member
William Weiss, Committee Member
Robert Campbell, Outside Member

5. Towards Real-Time Pilot-in-the-Loop Simulation of Rotorcraft with Fully-Coupled CFD Solutions of Rotor / Terrain Interactions

open_access
Open Access
Author:
Oruc, Ilker
Title:
Towards Real-Time Pilot-in-the-Loop Simulation of Rotorcraft with Fully-Coupled CFD Solutions of Rotor / Terrain Interactions
Graduate Program:
Aerospace Engineering
Keywords:
modeling
simulation
pilot-in-the-loop
rotorcraft
terrain
ship airwake
dynamic interface
DI
helicopter/ship
coupled
fully-coupled
fully coupled
ground effect
CFD
aerodynamics
flight control
flight dynamics
ship landing
ship approach
computational
fluid
dynamics
real-time
manned
sloped
partial ground
acceleration
helicopter simulation
high-performance-computing
flight simulator
MPI
helicopter dynamics
SFS2
MPMD
actuator disk
ADM
ALM
simple frigate ship
non-linear
NLDI
UH-60
flight performance
one-way coupled
two-way coupled
recirculation
coupled simulation
coupling interface
IGE
OGE
hover
GENHEL
GENHEL-PSU
Navier-Stokes
Gaussian
Committee Members:
Joseph F. Horn, Dissertation Advisor/Co-Advisor
Joseph F. Horn, Committee Chair/Co-Chair
Edward C. Smith, Committee Member
Sven Schmitz, Committee Member
Savas Yavuzkurt, Outside Member

7. Crossing Scales with Computational Tools: Applications to Divalent Silicate Dissolution

open_access
Open Access
Author:
Morrow, Christin Palombo
Title:
Crossing Scales with Computational Tools: Applications to Divalent Silicate Dissolution
Graduate Program:
Chemistry
Keywords:
density functional theory
molecular dynamics
mineral dissolution
silicate
computational
kinetics
geochemistry
Committee Members:
Karl T. Mueller, Committee Chair/Co-Chair
James D. Kubicki, Committee Chair/Co-Chair
Sharon Hammes-Schiffer, Committee Member
William Noid, Committee Member
Vincent Crespi, Committee Member

8. A Combined Empirical and Computational Approach to Creep in Replicas of Historic Mortar

open_access
Open Access
Author:
Gimbert, Sally Jean
Title:
A Combined Empirical and Computational Approach to Creep in Replicas of Historic Mortar
Graduate Program:
Architectural Engineering
Keywords:
finite element
shrinkage
modulus of elasticity
sand-lime
lime-based
pozzolanic
numerical
computational
compression
creep
masonry
pozzolan
admixtures
eggs
middle ages
beeswax
beer
mortar
historic
viscoelastic
time-dependent
homogenized
holistic building
FEA modelling
Committee Members:
Thomas E Boothby, Thesis Advisor/Co-Advisor
Charles E Bakis, Thesis Advisor/Co-Advisor
Dr Daniel Linzell, Thesis Advisor/Co-Advisor
Dr Andres Lepage, Thesis Advisor/Co-Advisor

9. COMPUTATIONAL STUDY ON SENSORY MOTOR INTEGRATION AND SENSORY SEQUENCE LEARNING IN SONGBIRD HVC

open_access
Open Access
Author:
Wang, Linli
Title:
COMPUTATIONAL STUDY ON SENSORY MOTOR INTEGRATION AND SENSORY SEQUENCE LEARNING IN SONGBIRD HVC
Graduate Program:
Physics
Keywords:
computational
songbird
HVC
sequence
recognition
learning
Committee Members:
Dezhe Jin, Dissertation Advisor/Co-Advisor
Dezhe Jin, Committee Chair/Co-Chair
John C Collins, Committee Member
Gong Chen, Committee Member
Jayanth R Banavar, Committee Member

10. Numerical Simulations of Two-Dimensional Laminar Flow Over Bluff Bodies Using the Immersed Boundary Method with Cartesian Grids

open_access
Open Access
Author:
Stergiou, Jonathan Chris
Title:
Numerical Simulations of Two-Dimensional Laminar Flow Over Bluff Bodies Using the Immersed Boundary Method with Cartesian Grids
Graduate Program:
Aerospace Engineering
Keywords:
fluid
computational
cylinder
immersed boundary
cfd
dynamics
bluff body
Committee Members:
Philip John Morris, Thesis Advisor/Co-Advisor
Sue Ellen Haupt, Thesis Advisor/Co-Advisor