Gregory A. Voth
Distinguished Professor of Chemistry
Director, Center for Biophysical
Modeling and Simulation
Adjunct Professor, Bioengineering
E-Mail Greg Voth
Research Interests
- Multi-scale Simulation and theoretical Modeling of Biomolecular Assemblies
- Proton Transport Processes in Biological and Solution Phase Systems
- Theory and Simulation of Condensed Phase Quantum Dynamical Processes
- Ab Initio Molecular Dynamics
- Computer Simulation and Modeling of Materials
- Electron Transfer in Solution and Across the solid/Electrolyte Interface
- Theory and Simulation of Solvation Phenomena
- Structure and Dynamics of Interfaces
- Ionic Liquids and Solvents
Latest Publications
- D. T. Mirijanian, and G. A. Voth, "Unique Elastic Properties of the Spectrin Tetramer as Revealed by Multiscale Coarse-grained Modeling," Proc. Natl. Acad. Sci., 105, 1204-1208 (2008). DOI: 10.1073/pnas.0707500105
- P. Liu, S. Izvekov, and G. A. Voth, "Multiscale Coarse-Graining of Monosaccharides," J. Phys. Chem B, 111, 11566-11575 (2007). DOI: 10.1021/jp0721494
- J.-W. Chu, and G. A. Voth, "Coarse-Grained Free Energy Functions for Studying Protein Conformational Changes: A Many-Basin Double Well Model," Biophys. J., 93, 3860-3871 (2007). DOI: 10.1529/biophysj.107.112060
- G. S. Ayton, W. G. Noid, and G. A. Voth, "Systematic Coarse-graining of Biomolecular and Soft Matter Systems," MRS Bulletin 32 (Nov.), 929-934; (2007). [PDF for personal use only].
- Y. Wang, W. Jiang, T. Yan, and G. A. Voth, "Understanding Ionic Liquids through Atomistic and Coarse-grained Molecular Dynamics Simulations," Acc. Chem. Res., 40, 1193-1199 (2007). DOI: 10.1021/ar700160p
- Y. Wu, H. Chen, F. Wang, F. Paesani, and G. A. Voth, "An Improved Multistate Empirical Valence Bond Model for Aqueous Proton Solvation and Transport," J. Phys. Chem. B 112, 467-482 (2008). DOI: 10.1021/jp076658h
- W. Jiang, Y. Wang, T. Yan, and G. A. Voth, “A Multiscale Coarse-Graining Study of Liquid/Vacuum Interface of Room-Temperature Ionic Liquids with Alkyl Substituents of Different Lengths”, J. Phys. Chem.C, 112, 1132-1139 (2008). DOI: 10.1021/jp077643m
- F. Paesani and G. A. Voth, “Quantum Effects Strongly Influence the Surface Premelting of Ice”, J. Phys. Chem. C 112, 324-327 (2008). DOI: 10.1021/jp710640e
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