Directory: Faculty

Gregory A. Voth

THEORETICAL & PHYSICAL CHEMISTRY

Distinguished Professor, Director of the Center for Biophysical Modeling and Simulation

B. S. University of Kansas, 1981
Ph.D. California Institute of Technology, 1987
IBM Post-doctoral Fellow, University of California,Berkeley, 1987-89.

Phone: (801) 581-7272

Office: 362 INSCC

Email: voth@chem.utah.edu

Research Group

Publications

Activities & Awards

Elected Distinguished Professor, University of Utah, 2005
John Simon Guggenheim Memorial Fellowship, 2004-2005
Miller Visiting Professorship, University of California, Berkeley, 2003
University of Utah Faculty Fellow Award, 2000
Reilly Lecturer, University of Notre Dame, 1999
Frontiers of Chemistry Lecturer, Wayne State University, 1999
Elected Fellow of the American Association for the Advancement of Science, 1999
Elected Fellow of the American Physical Society, 1997
IBM Corporation Faculty Research Award, 1997-99, 2003-05
Camille Dreyfus Teacher-Scholar Award, 1994-1999
Alfred P. Sloan Foundation Research Fellow, 1992-94
National Science Foundation Presidential Young Investigator Award, 1991-96
David and Lucile Packard Foundation Fellowship in Science and Engineering, 1990-95
Lilly Foundation Teaching Fellowship, 1990-91
Camille and Henry Dreyfus Distinguished New Faculty Award, 1989
The Francis and Milton Clauser Doctoral Prize, California Institute of Technology, 1987
The Herbert Newby McCoy Award, California Institute of Technology, 1986
The Proctor and Gamble Award for Outstanding Research in Physical Chemistry, American Chemical Society, 1985

Research Interests

Our research involves fundamental theoretical studies of the dynamics of complex, condensed matter systems. A primary goal of this research is the formulation of predictive mathematical theories to characterize important condensed phase dynamical problems. A second-and equally important-goal is to develop new theoretical methods which allow one to maximize the potential of the computer as a research tool. The latter methods are developed to probe complex phenomena through large-scale computer simulation. The overall goal of our effort is to advance the frontier of theoretical methodology in physical chemistry, while at the same time applying that methodology to highly complex systems of chemical, biological, material, and environmental relevance. The breadth and depth of research topics in our group is too great to be adequately described in the limited space of this page. Please see the URL http://www.cbms.utah.edu for further information or contact our group directly.

Selected Publications

S. Paramore, G. S. Ayton, D. T. Mirijanian, and G. A. Voth, "Extending a Spectrin Repeat Unit I. Linear Force-Extension Response," Biophys. J. 90, 92-100 (2006).
S. Paramore, G. S. Ayton, and G. A. Voth, "Extending a Spectrin Repeat Unit II. Rupture Behavior," Biophys. J. 90, 101-111 (2006).
Y. Wu, H. L. Tepper, and G. A. Voth, "A Flexible Simple Point Charge Water Model with Improved Liquid State Properties," J. Chem. Phys. 124, 024503(1-12) (2006).
C. M. Maupin, K. F. Wong, A. V. Soudakov, S. Kim, and G. A. Voth, "A Multi-State Empirical Valence Bond Description of Protonatable Amino Acids," J. Phys. Chem. A 110 631-639 (2006).
T. Yan, S. Li, W. Jiang, X. Gao, B. Xiang, and G. A. Voth, "Structure of the Liquid/Vacuum Interface of Room Temperature Ionic Liquids: A Molecular Dynamics Study," J. Phys. Chem. B 110, 1800-1806 (2006).
Y. Wang, S. Izvekov, T. Yan, and G. A. Voth, "Multiscale Coarse-Graining of Ionic Liquids," J. Phys. Chem. B 110, 3564-3575 (2006).
J.-W. Chu and G. A. Voth, "Coarse-Grained Modeling of the Actin Filament Derived from Atomistic-Scale Simulations," Biophys. J. 90, 1572-1582 (2006).
G. S. Ayton, J. L. McWhirter, and G. A. Voth, "A Second Generation Lipid Bilayer Model: Connections to Field Theory Descriptions of Membranes and Nonlocal Hydrodynamics," J. Chem. Phys. 124, 064906(1-12) (2006).
C. J. Burnham, M. K. Petersen, T. J. F. Day, S. S. Iyengar, and G. A. Voth, "The Properties of Ion-Water Clusters. II. Solvation Structures of Na⁺, Cl^-, And H⁺ Clusters as a Function of Temperature," J. Chem. Phys. 124, 024327(1-9) (2006).
S. Izvekov and G. A. Voth, "Multiscale Coarse-graining of Mixed Phospholipid/Cholesterol Bilayer," J. Chem. Theory Comp. 2, 637-648 (2006).
T. D. Hone, P. J. Rossky, and G. A. Voth, "A Comparative Study of Imaginary Time Path Integral based Methods for Quantum Dynamics," J. Chem. Phys. 124, 154103(1-9) (2006).
G. A. Voth, "Computer Simulation of Proton Solvation and Transport in Aqueous and Biomolecular Systems," Acc. Chem. Res. 39, 143-150 (2006).
M. K. Petersen and G. A. Voth, "The Amphiphilic Character of the Hydrated Proton in Methanol-Water Solutions," J. Phys. Chem. B 110, 7085-7089 (2006).
H. Chen, Y. Wu, and G. A. Voth, "Origins of Proton Transport Behavior from Selectivity Domain Mutations of the Aquaporin-1 Channel," Biophys. J. 90, L73-L75 (2006).
J.-W. Chu, S. Izvekov, and G. A. Voth, "The Multiscale Challenge for Biomolecular Systems: Coarse-grained Modeling," Mol. Sim. 32, 211-218 (2006).
V. Krishna and G. A. Voth, "Evaluation of Nonlinear Quantum Time Correlation Functions within the Centroid Dynamics Formulation," J. Phys. Chem. B 110, 18953-18957 (2006).
J. Xu and G. A. Voth, "Free Energy Profiles for H+ Conduction in the D-Pathway of Cytochrome c Oxidase: A Study of the Wild Type and N98D Mutant Enzymes," BBA-Bioenergetics 1757, 852-859 (2006).
Q. Shi, S. Izvekov, and G. A. Voth, "Mixed Atomistic and Coarse-grained Molecular Dynamics: Simulation of a Membrane Bound Ion Channel," J. Phys. Chem. B 110, 15045-15048 (2006).
S. Paramore and G. A. Voth, "Examining the Influence of Linkers and Tertiary Structure in the Forced Unfolding of Multiple-Repeat Spectrin Molecules," Biophys. J. (in press).
M. K. Petersen and G. A. Voth, "Characterization of the Solvation and Transport of the Hydrated Proton in the Perfluorosulfonic Acid Membrane Nafionä," J. Phys. Chem. B 110, 18594-18600 (2006).
Y. Wang and G. A. Voth, "Tail Aggregation and Domain Diffusion in Ionic Liquids," J. Phys Chem B 110, 18601-18608 (2006).
P. D. Blood and G. A. Voth, "Observation of Bin/amphiphysin/Rvs (BAR) Domain-Induced Membrane Curvature by Means of Molecular Dynamics Simulation," Proc. Natl. Acad. Sci. 103, 15068-15072 (2006).