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Gregory A. Voth
Gregory A. Voth
Haig P. Papazian Distinguished Service Professor, Department of Chemistry, The University of Chicago
Email confirmado em uchicago.edu - Página inicial
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A multiscale coarse-graining method for biomolecular systems
S Izvekov, GA Voth
The Journal of Physical Chemistry B 109 (7), 2469-2473, 2005
11072005
Flexible simple point-charge water model with improved liquid-state properties
Y Wu, HL Tepper, GA Voth
The Journal of chemical physics 124 (2), 024503, 2006
10222006
Unique spatial heterogeneity in ionic liquids
Y Wang, GA Voth
Journal of the American Chemical Society 127 (35), 12192-12193, 2005
9882005
The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models
WG Noid, JW Chu, GS Ayton, V Krishna, S Izvekov, GA Voth, A Das, ...
The Journal of chemical physics 128 (24), 244114, 2008
7652008
On the structure and dynamics of ionic liquids
MG Del Pópolo, GA Voth
The Journal of Physical Chemistry B 108 (5), 1744-1752, 2004
7112004
Coarse-graining of condensed phase and biomolecular systems
CRC Press, 2009
689*2009
Multiscale coarse graining of liquid-state systems
S Izvekov, GA Voth
The Journal of chemical physics 123 (13), 134105, 2005
6212005
The computer simulation of proton transport in water
UW Schmitt, GA Voth
The Journal of chemical physics 111 (20), 9361-9381, 1999
6191999
Rigorous formulation of quantum transition state theory and its dynamical corrections
GA Voth, D Chandler, WH Miller
The Journal of chemical physics 91 (12), 7749-7760, 1989
5871989
The formulation of quantum statistical mechanics based on the Feynman path centroid density. II. Dynamical properties
J Cao, GA Voth
The Journal of chemical physics 100 (7), 5106-5117, 1994
5471994
Effective force fields for condensed phase systems from ab initio molecular dynamics simulation: A new method for force-matching
S Izvekov, M Parrinello, CJ Burnham, GA Voth
The Journal of chemical physics 120 (23), 10896-10913, 2004
4872004
Coarse-graining methods for computational biology
MG Saunders, GA Voth
Annual review of biophysics 42, 73-93, 2013
4782013
Molecular dynamics simulation of nanostructural organization in ionic liquid/water mixtures
W Jiang, Y Wang, GA Voth
The Journal of Physical Chemistry B 111 (18), 4812-4818, 2007
4702007
Multiscale modeling of biomolecular systems: in serial and in parallel
GS Ayton, WG Noid, GA Voth
Current opinion in structural biology 17 (2), 192-198, 2007
4672007
Multistate empirical valence bond model for proton transport in water
UW Schmitt, GA Voth
The Journal of Physical Chemistry B 102 (29), 5547-5551, 1998
4541998
Molecular dynamics simulation of ionic liquids: The effect of electronic polarizability
T Yan, CJ Burnham, MG Del Pópolo, GA Voth
The Journal of Physical Chemistry B 108 (32), 11877-11881, 2004
4402004
Tail aggregation and domain diffusion in ionic liquids
Y Wang, GA Voth
The Journal of Physical Chemistry B 110 (37), 18601-18608, 2006
4352006
Computer simulation of proton solvation and transport in aqueous and biomolecular systems
GA Voth
Accounts of Chemical Research 39 (2), 143-150, 2006
4232006
Ab initio molecular dynamics: Propagating the density matrix with Gaussian orbitals. III. Comparison with Born–Oppenheimer dynamics
HB Schlegel, SS Iyengar, X Li, JM Millam, GA Voth, GE Scuseria, ...
The Journal of chemical physics 117 (19), 8694-8704, 2002
4162002
Gaussian 2003
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Pittsburgh, CT: Gaussian Inc, 2003
4142003
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