| Andrew Leathers |
Thursday, July 23, 2009
Dissipative Quantum Molecular Dynamics in Gases and Condensed Media: A Density Matrix Treatment
Advisor: David A. Micha, Professor of Chemistry and Physics, Emeritus
|
| Duane Williams |
May 27, 2009
Parameterization of Semiempirical Quantum Mechanical Methods for the Prediction of NMR Chemical Shifts in Biologically Relevant Systems
Advisor: Kenneth Merz, Professor of Chemistry
|
| Daniel Sindhikara |
Tuesday, April 14, 2009
A Sampling of Molecular Dynamics
Advisor: Adrian Roitberg. Associate Professor of Chemistry
|
| Elena Dolghih |
Friday, April 3, 2009
Theoretical studies of dye-labeled DNA systems with applications to
fluorescence resonance energy transfer
Advisor: Adrian Roitberg, Associate Professor of Chemistry
|
| Julio Palma |
Thursday, April 2, 2009
Theoretical investigations of molecular wires, electronic spectra and electron transport
Advisor: Adrian Roitberg, Associate Professor of Chemistry
|
| Seth Hayik |
Thursday, March 26, 2009
Computational Studies of Protein-Ligand Interaction through QM/MM methods and Virtual Screening
Advisor: Kenneth Merz, Professor of Chemistry
|
| Chao Cao |
September 19, 2008
First-Principles and Multi-Scale Modeling of Nano-Scale Systems
Advisor: Hai-Ping Cheng, Professor of Physics and Chemistry
|
| Tom Hughes |
Thursday, November 13, 2008
Parallel Blackbox Local Coupled-Cluster Methods
For Large Molecules
Advisor: Rodney J. Bartlett, Graduate Research Professor of Chemistry and Physics
|
| Ozlem Demir |
Thursday, July 24, 2008
Computational Study of Structure and Mechanism of Trypanosoma cruzi trans-sialidase
Advisor: Jeffrey L. Krause
|
| Andrew Taube |
Wednesday, July 23, 2008
Developments in Coupled-Cluster Theory Gradients and Potential Energy Surfaces
Advisor: Rodney J. Bartlett, Graduate Research Professor of Chemistry and Physics
|
| Josh McClellan |
December 18, 2007
Adapted ab initio Theory: A Simplified Kohn-Sham Density Functional Theory
Advisor: Rodney J. Bartlett, Graduate Research Professor of Chemistry and Physics
|
| Seonah
Kim |
July 17, 2007
Simulating Temperature Jumps for Protein Folding Studies
Advisor: Adrian E. Roitberg, Associate Professor of Chemistry
|
| Martin
Peters |
July 16, 2007
The Application of Semiempirical Methods in Drug Design
Advisor: Kenneth M. Merz, Jr., Professor of Chemistry
|
| Denis
Bokhan |
July 10, 2007
Ab initio density
functional theory for excited states, open - shell systems and response
properties
Advisor: Rodney J. Bartlett, Graduate Research Professor of Chemistry
|
September 2006
|
Bryan Op't Holt
Dr. Merz's Group
|
Summer 2006
|
Alex Pacheco
Dr. Micha's Group
|
Summer 2005
|
Igor Schweigert
Dr. Bartlett's Group
|
Wuming Zhu
Dr. Trickey's Group
|
Ben Killian
Dr. Ohrn's Group
|
|
