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| Prakash Verma |
August 9, 2011 Increasing the Applicability of Density Functional Theory Advisor: Rodney J. Bartlett, Professor of Chemistry and Physics |
| Yue Yang |
August 9, 2011 Computational modelling and simulation of prenyltransferase and corresponding prenylation Advisor: Kenneth M. Merz, Jr., Professor of Chemistry |
| Yun-Wen Chen |
December 21, 2010 An Ab Initio Study of Alpha-Quartz (0001) Surface and Water-Silica Interface Interaction Advisor: Hai-Ping Cheng, Professor of Physics and Chemistry |
| Yilin Meng |
August 10, 2010 Constant pH Replica Exchange Molecular Dynamics Study of Protein Structures and Dynamics Advisor: Adrian E. Roitberg., Associate Professor of Chemistry |
| Xiao He |
May 4, 2010 Linear-Scaling Methodology in Large-Scale Ab Initio Electronic Structure Calculations and Applications in Biological Studies Advisor: Kenneth M. Merz, Jr., Professor of Chemistry |
| Alexander F. Kemper |
May 4, 2010 Computational Studies of Correlated Electronic Systems Advisor: Hai-Ping Cheng, Professor of Physics and Chemistry |
| Andrew Stephen Leathers |
August 11, 2010 Dissipative Quantum Molecular Dynamics in Gases and Condensed Media: A Density Matrix Treatment Advisor: David A. Micha., Professor of Chemistry and Physics |
| Duane E. Williams |
August 11, 2009 Parameterization of Semiempirical Quantum Mechanical Methods for the Prediction of Nuclear Magnetic Resonance Chemical Shifts in Biologically Relevant Systems Advisor: Kenneth M. Merz, Jr., Professor of Chemistry |
| Sabri Alkis |
May 5, 2009 Computer Simulations of Self-Assembled Monolayers on the Au(111) Surface Advisor: Jeffrey Krause, Professor of Chemistry and Physics and Adrian E. Roitberg, Associate Professor of Chemistry |
| Elena Dolghih |
May 5, 2009 Theoretical Studies of Dye-Labeled DNA Systems with Applications to Fluorescence Resonance Energy Transfer Advisor: Adrian E. Roitberg, Associate Professor of Chemistry and Jeffrey Krause, Professor of Chemistry and Physics |
| Seth Allen Hayik |
May 5, 2009 Computational Studies of Protein-Ligand Interaction through QM/MM Methods and Virtual Screening Advisor: Kenneth M. Merz, Jr., Professor of Chemistry |
| Julio Leopoldo Palma Anda |
May 5, 2009 Theoretical Investigations of Molecular Wires: Electronic Spectra and Electron Transport Advisor: Jeffrey Krause, Professor of Chemistry and Physics |
| Daniel J. Sindhikara |
May 5, 2009 A Sampling of Molecular Dynamics Advisor: Adrian E. Roitberg., Associate Professor of Chemistry |
| Chao Cao |
December 23, 2008 First-Principles and Multi-Scale Modeling of Nano-Scale Systems Advisor: Hai-Ping Cheng, Professor of Physics and Chemistry |
| Thomas Frank Hughes |
Deccember 23, 2008 Transferability in Ab Initio Quantum Chemistry: Correlated Electronic Structure Theory for Large Molecules Advisor: Rodney J. Bartlett, Professor of Chemistry and Physics |
| Georgios Leonis |
December 23, 2008 Theoretical Studies on Structure-Activity Relationships of FLP Neuropeptides Advisor: Adrian E. Roitberg., Associate Professor of Chemistry |
| 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 |
| Christina R. Crecca |
May 6, 2008 New Protein Structure Prediction Method Using Inter-Residue Distances and a Theoretical Investigation of the Isomerization of Azobenzene and Disubstituted Azobenzenes Advisor: Adrian E. Roitberg, Associate Professor of Chemistry |
| Josh McClellan |
May 6, 2008 Adapted ab initio Theory: A Simplified Kohn-Sham Density Functional Theory Advisor: Rodney J. Bartlett, Graduate Research Professor of Chemistry and Physics |
| Denis Bokhan |
December 18, 2007 Ab Initio Density Functional Theory for Open-Shell Systems, Excited States and Response Properties 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 |
| Bryan T. Op't Holt | December 16, 2006
Computational Studies of the Structure and Function of Metalloenzymes and the Performance of Density Functional Methods Advisor: Kenneth M. Merz, Jr., Professor of Chemistry |
| Alexander Pacheco | August 12, 2006
First Principles Dynamics of Transient Light Absorption and Emission of Alkali Atoms Interacting with Rare Gas Atoms Advisor: David A. Micha, Professor of Chemistry and Physics |
| Benjamin Killian | August 6, 2005
On Electronic Representations in Molecular Reaction Dynamics Advisor: N. Yngve Öhrn, Professor of Chemistry and Physics |
| Igor V. Schweigert | August 6, 2005
Ab Initio Density Functional Theory Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| Wuming Zhu | August 6, 2005
Numerical and Exact Density Functional Studies of Light Atoms in Strong Magnetic Fields Advisor: Samuel B. Trickey, Professor of Physics and Chemistry |
| Wilfredo Ortiz | April 30, 2005
Energy Transfer in Dendrimers Advisor: Jeffrey Krause, Professor of Chemistry and Physics |
| Anthony D. Yau | December 18, 2004
A Parallel Direct Open-Shell Coupled-Cluster Singles and Doubles Algorithm Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| Chun Zhang | December 18, 2004
Transport Properties at Nano Scales via First Principles Studies Advisor: Hai-Ping Cheng, Professor of Physics and Chemistry |
| Ariana Beste | May 1, 2004
Independent Particle Theory with Electron Correlation Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| Thomas M. Henderson | May 1, 2004
Short-Range Correlation in Molecular Physics: The Basis Set Problem and the Correlation Hole Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| Corneliu Manescu | May 1, 2004
Controlling and Probing Atoms and Molecules with Ultrafast Laser Pulses Advisor: Jeffrey Krause, Professor of Chemistry and Physics |
| David Masiello | May 1, 2004
On the Canonical Formulation of Electrodynamics and Wave Mechanics Advisor: N. Yngve Öhrn, Professor of Chemistry and Physics |
| Decarlos Taylor | May 1, 2004
The Transfer Hamiltonian: A Tool for Large Scale, Accurate, Molecular Dynamics Simulations Using Quantum Mechanical Potentials Ab Initio Density Functional Theory Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| Brian R. Thorndyke | May 1, 2004
Quantum Dynamics of Finite Atomic and Molecular Systems Through Density Matrix Methods Advisor: David A. Micha, Professor of Chemistry and Physics |
| Linlin Wang | May 1, 2004
A Computational Study of Surface Adsorption and Desorption Advisor: Hai-Ping Cheng, Professor of Physics and Chemistry |
| Maohua Du | December 20, 2003
Theoretical Modeling and Design of Complex Materials Advisor: Hai-Ping Cheng, Professor of Physics and Chemistry |
| Kevin L. Shuford | August 9, 2003
Quantum Control of Charge Carrier Dynamics in Layered Semiconductor Heterostructures Advisor: Jeffrey Krause, Professor of Chemistry and Physics |
| Andres Reyes | May 3, 2003
Advisor: David A. Micha, Professor of Chemistry and Physics |
| Alberto Santana Varagas | May 3, 2003
Photoinduced Quantum Dynamics of Adsorbates at Surfaces Advisor: David A. Micha, Professor of Chemistry and Physics |
| Motoi Tobita | May 1, 2002
Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| Kenneth J. Wilson | May 1, 2002
Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| Anatol Blass | December 1, 2001
Advisor: N. Yngve Öhrn, Professor of Chemistry and Physics |
| Mauricio D. Coutinho-Neto | December 1, 2001
Advisor: N. Yngve Öhrn, Professor of Chemistry and Physics |
| Ted A. Obrien | December 1, 2000
Advisor: N. Yngve Öhrn, Professor of Chemistry and Physics |
| Yawen Hsiao | August 1, 1999
Advisor: Michael C. Zerner, Distinguished Professor of Chemistry and Physics |
| Artan Qerushi | May 1, 2000
Advisor: Hendrik J. Monkhorst, Professor of Physics and Chemistry |
| Charles Edwin Webster | May 1, 1999
Advisor: Michael C. Zerner, Distinguished Professor of Chemistry and Physics |
| Piotr Boguslaw Rozyczko | December 1, 1998
Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| Zhigang Yi | December 1, 1998
Advisor: David A. Micha, Professor of Chemistry and Physics |
| Cristian Cardenas-Lailhacar | August 1, 1998
Advisor: Michael C. Zerner, Distinguished Professor of Chemistry and Physics |
| Herbert F. Da Costa | August 1 1998
Advisor: David A. Micha, Professor of Chemistry and Physics |
| Greg M. Pearl | May 1, 1998
Advisor: Michael C. Zerner, Distinguished Professor of Chemistry and Physics |
| Steven R. Gwaltney | December 1, 1997
Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| Jorge A. Morales | December 1, 1997
Advisor: N. Yngve Öhrn, Professor of Chemistry and Physics |
| Juan Jose G. Oreiro | December 1, 1997
Advisor: N. Yngve Öhrn, Professor of Chemistry and Physics |
| Joaquim Delphino Da Motta | May 1, 1997
Advisor: Michael C. Zerner, Distinguished Professor of Chemistry and Physics |
| Junqiang Sun | May 1, 1997
Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| Ajith Dhammajeewa Perera | May 1, 1006
Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| Renee P. Mattie | August 1, 1995
Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| Robert L. Asher | May 1, 1995
Advisor: David A. Micha, Professor of Chemistry and Physics |
| Xuehe Zheng | May 1, 1995
Advisor: Michael C. Zerner, Distinguished Professor of Chemistry and Physics, N. Yngve Öhrn, Professor of Chemistry and Physics |
| Dairo Beksic | December 1, 1994
Advisor: David A. Micha, Professor of Chemistry and Physics |
| Marshall Cory | May 1, 1994
Advisor: Michael C. Zerner, Distinguished Professor of Chemistry and Physics |
| David E. Bernholdt | May 1, 1993
Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| Monique R. Chacon | May 1, 1993
Advisor: Michael C. Zerner, Distinguished Professor of Chemistry and Physics |
| Ricardo Luiz Longo | May 1, 1993
Advisor: N. Yngve Öhrn, Professor of Chemistry and Physics |
| Keith A. Runge | May 1, 1993
Advisor: David A. Micha, Professor of Chemistry and Physics |
| Agustin C. Diz | August 1, 1992
Advisor: N. Yngve Öhrn, Professor of Chemistry and Physics |
| Walter J. Lauderdale | 12/1/1991
Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| John David Baker | May 1, 1991
Advisor: Michael C. Zerner, Distinguished Professor of Chemistry and Physics |
| Qun Feng | May 1, 1991
Advisor: David A. Micha, Professor of Chemistry and Physics |
| Joel Maratin Cohen | December 1, 1990
Advisor: David A. Micha, Professor of Chemistry and Physics |
| Kenneth Charles McGill | December 1, 1990
Advisor: N. Yngve Öhrn, Professor of Chemistry and Physics |
| Tadeusz S. Pluta | December 1, 1990
Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| Charles A. Taylor, Jr. | December 1, 1990
Advisor: Michael C. Zerner, Distinguished Professor of Chemistry and Physics |
| Mark Alan Thompson | August 1, 1990
Advisor: Michael C. Zerner, Distinguished Professor of Chemistry and Physics |
| William A. Parkinson | December 1, 1989
Advisor: Michael C. Zerner, Distinguished Professor of Chemistry and Physics |
| Shahul H. Nilar | May 1, 1989
Advisor: Michael C. Zerner, Distinguished Professor of Chemistry and Physics |
| David H. Magers | December 1, 1988
Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| Deepak Srivastava | December 1, 1988
Advisor: David A. Micha, Professor of Chemistry and Physics |
| Gary Trucks | December 1, 1988
Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| Zaida Parra | August 1, 1988
Advisor: David A. Micha, Professor of Chemistry and Physics |
| Edward A. Salter | August 1, 1988
Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| Clifford D. Stodden | December 1, 1987
Advisor: David A. Micha, Professor of Chemistry and Physics |
| Sohrab Zarrabian | December 1, 1987
Advisor: Rodney J. Bartlett, Graduate Professor of Chemistry and Physics |
| John C. Culberson | May 1, 1987
Advisor: Michael C. Zerner, Distinguished Professor of Chemistry and Physics |
| Rina Basu | December 1, 1985
Advisor: N. Yngve Öhrn, Professor of Chemistry and Physics |
Last Updated 9/21/2011
