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	title = {Fascin and α-Actinin-bundled Networks Contain Intrinsic Structural Features That Drive Protein Sorting},
	journal = {Current Biology},
	volume = {26},
	year = {2016},
	pages = {2697{\textendash}2706},
	doi = {10.1016/j.cub.2016.07.080},
	author = {Jonathan D. Winkelman and Cristian Suarez and Glen M. Hocky and Alyssa J. Harker and Jenna R. Christensen and Alisha N. Morganthaler and Gregory A. Voth and James R. Bartles and David R. Kovar}
}
@article {893,
	title = {When Physics Takes Over: BAR Proteins and Membrane Curvature},
	journal = {Trends Cell Biol.},
	year = {2015},
	doi = {10.1016/j.tcb.2015.09.005},
	author = {Mijo Simunovic and Gregory A. Voth and Andrew Callan-Jones and Patricia Bassereau}
}
@article {532,
	title = {Ab Initio Calculations of Reactive Pathways for {\OE}{\textpm}-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine ({\OE}{\textpm}-HMX)},
	journal = {The Journal of Physical Chemistry A},
	volume = {104},
	number = {48},
	year = {2000},
	pages = {11384-11389},
	doi = {10.1021/jp002173g},
	author = {Lewis, James P. and Glaesemann, Kurt R. and VanOpdorp, Kirk and Gregory A. Voth}
}
@article {534,
	title = {Electronic Structure Calculation of the Structures and Energies of the Three Pure Polymorphic Forms of Crystalline HMX},
	journal = {The Journal of Physical Chemistry B},
	volume = {104},
	number = {5},
	year = {2000},
	pages = {1009-1013},
	doi = {10.1021/jp9926037},
	author = {Lewis, James P. and Sewell, Thomas D. and Evans, Richard B. and Gregory A. Voth}
}
@article {621,
	title = {A Feynman Path Centroid Dynamics Approach for the Computation of Time Correlation Functions Involving Nonlinear Operators},
	journal = {The Journal of Chemical Physics},
	volume = {113},
	number = {3},
	year = {2000},
	pages = {919-929},
	keywords = {quantum theory molecular dynamics method quantum fluids reaction rate constants quantum statistical mechanics},
	doi = {10.1063/1.481872},
	author = {Reichman, David R. and Roy, Pierre-Nicholas and Jang, Seogjoo and Gregory A. Voth}
}
@article {440,
	title = {The Mechanism of Hydrated Proton Transport in Water},
	journal = {Journal of the American Chemical Society},
	volume = {122},
	number = {48},
	year = {2000},
	pages = {12027-12028},
	doi = {10.1021/ja002506n},
	author = {Day, Tyler J. F. and Udo W. Schmitt and Gregory A. Voth}
}
@article {523,
	title = {Quantum Molecular Dynamics and Spectral Simulation of a Boron Impurity in Solid Para-hydrogen},
	journal = {The Journal of Chemical Physics},
	volume = {113},
	number = {20},
	year = {2000},
	pages = {9079-9089},
	keywords = {solid hydrogen impurities molecular dynamics method impurity absorption spectra},
	doi = {10.1063/1.1318225},
	author = {Krumrine, Jennifer R. and Jang, Soonmin and Alexander, Millard H. and Gregory A. Voth}
}
@article {632,
	title = {The Quantum Vibrational Dynamics of Cl[sup -](H[sub 2]O)[sub n] Clusters},
	journal = {The Journal of Chemical Physics},
	volume = {113},
	number = {13},
	year = {2000},
	pages = {5171-5178},
	keywords = {water chlorine spectral line shift hydrogen bonds molecular clusters vibrational states infrared spectra potential energy functions},
	doi = {10.1063/1.1290132},
	author = {Schenter, Gregory K. and Garrett, Bruce C. and Gregory A. Voth}
}
@article {497,
	title = {A Relationship between Centroid Dynamics and Path Integral Quantum Transition State Theory},
	journal = {The Journal of Chemical Physics},
	volume = {112},
	number = {20},
	year = {2000},
	pages = {8747-8757},
	keywords = {reaction kinetics theory reaction rate constants molecular dynamics method quantum theory probability potential energy surfaces},
	doi = {10.1063/1.481490},
	author = {Jang, Seogjoo and Gregory A. Voth}
}
@article {564,
	title = {Reorganization Parameters of Electronic Transitions in Electronically Delocalized Systems. 2. Optical Spectra},
	journal = {The Journal of Physical Chemistry A},
	volume = {104},
	number = {27},
	year = {2000},
	pages = {6485-6494},
	doi = {10.1021/jp9938866},
	author = {Matyushov, Dmitry V. and Gregory A. Voth}
}
@article {565,
	title = {Reorganization Parameters of Electronic Transitions in Electronically Delocalized Systems. 1. Charge Transfer Reactions},
	journal = {The Journal of Physical Chemistry A},
	volume = {104},
	number = {27},
	year = {2000},
	pages = {6470-6484},
	doi = {10.1021/jp993885d},
	author = {Matyushov, Dmitry V. and Gregory A. Voth}
}
@article {623,
	title = {Self-consistent Harmonic Theory of Solvation in Glassy Systems: Classical Solvation},
	journal = {The Journal of Chemical Physics},
	volume = {112},
	number = {7},
	year = {2000},
	pages = {3267-3279},
	keywords = {solvation glass self-diffusion},
	doi = {10.1063/1.480910},
	author = {Reichman, David R. and Gregory A. Voth}
}
@article {622,
	title = {Self-consistent Harmonic Theory of Solvation in Glassy Systems: Quantum Solvation},
	journal = {The Journal of Chemical Physics},
	volume = {112},
	number = {7},
	year = {2000},
	pages = {3280-3284},
	keywords = {solvation glass phonon-phonon interactions},
	doi = {10.1063/1.480911},
	author = {Reichman, David R. and Gregory A. Voth}
}
@article {665,
	title = {Classical and Quantum Simulation of Electron Transfer Through a Polypeptide},
	journal = {The Journal of Physical Chemistry B},
	volume = {103},
	number = {34},
	year = {1999},
	pages = {7367-7382},
	doi = {10.1021/jp991057e},
	author = {Ungar, Lowell W. and Newton, Marshall D. and Gregory A. Voth}
}
@article {636,
	title = {The Computer Simulation of Proton Transport in Water},
	journal = {The Journal of Chemical Physics},
	volume = {111},
	number = {20},
	year = {1999},
	pages = {9361-9381},
	keywords = {water digital simulation quantisation (quantum theory) ionic conductivity VB calculations molecular dynamics method},
	doi = {10.1063/1.480032},
	author = {Udo W. Schmitt and Gregory A. Voth}
}
@article {496,
	title = {A Derivation of Centroid Molecular Dynamics and Other Approximate Time Evolution Methods for Path Integral Centroid Variables},
	journal = {The Journal of Chemical Physics},
	volume = {111},
	number = {6},
	year = {1999},
	pages = {2371-2384},
	keywords = {molecular dynamics method Liouville equation perturbation theory},
	doi = {10.1063/1.479515},
	author = {Jang, Seogjoo and Gregory A. Voth}
}
@article {396,
	title = {Electrochemical Bond-Breaking Reactions: A Comparison of Large Scale Simulation Results with Analytical Theory},
	journal = {The Journal of Physical Chemistry B},
	volume = {103},
	number = {17},
	year = {1999},
	pages = {3442-3448},
	doi = {10.1021/jp984696i},
	author = {August Calhoun and Koper, Marc T. M. and Gregory A. Voth}
}
@article {640,
	title = {Extension of Path Integral Quantum Transition State Theory to the Case of Nonadiabatic Activated Dynamics},
	journal = {The Journal of Chemical Physics},
	volume = {111},
	number = {7},
	year = {1999},
	pages = {2869-2877},
	keywords = {reaction kinetics theory reaction rate constants potential energy surfaces},
	doi = {10.1063/1.479569},
	author = {Schwieters, Charles D. and Gregory A. Voth}
}
@article {625,
	title = {On the Feynman Path Centroid Density for Bose-Einstein and Fermi-Dirac Statistics},
	journal = {The Journal of Chemical Physics},
	volume = {110},
	number = {8},
	year = {1999},
	pages = {3647-3652},
	keywords = {boson systems fermion systems molecular dynamics method},
	doi = {10.1063/1.478254},
	author = {Roy, Pierre-Nicholas and Gregory A. Voth}
}
@article {624,
	title = {Feynman Path Centroid Dynamics for Fermi{\textendash}Dirac Statistics},
	journal = {The Journal of Chemical Physics},
	volume = {111},
	number = {12},
	year = {1999},
	pages = {5303-5305},
	keywords = {fermion systems quantum statistical mechanics molecular dynamics method boson systems},
	doi = {10.1063/1.479789},
	author = {Roy, Pierre-Nicholas and Jang, Seogjoo and Gregory A. Voth}
}
@article {492,
	title = {A Modification of Path Integral Quantum Transition State Theory for Asymmetric and Metastable Potentials},
	journal = {The Journal of Physical Chemistry A},
	volume = {103},
	number = {47},
	year = {1999},
	pages = {9527-9538},
	doi = {10.1021/jp992190+},
	author = {Jang, Seogjoo and Schwieters, Charles D. and Gregory A. Voth}
}
@article {495,
	title = {Path Integral Centroid Variables and the Formulation of their Exact Real Time Dynamics},
	journal = {The Journal of Chemical Physics},
	volume = {111},
	number = {6},
	year = {1999},
	pages = {2357-2370},
	keywords = {molecular dynamics method fluctuations harmonic oscillators integral equations quantum theory},
	doi = {10.1063/1.479514},
	author = {Jang, Seogjoo and Gregory A. Voth}
}
@article {563,
	title = {A Perturbation Theory for Solvation Thermodynamics: Dipolar{\textendash}quadrupolar Liquids},
	journal = {The Journal of Chemical Physics},
	volume = {111},
	number = {8},
	year = {1999},
	pages = {3630-3638},
	keywords = {liquid theory perturbation theory solvation thermodynamics chemical potential digital simulation free energy entropy permittivity},
	doi = {10.1063/1.479643},
	author = {Matyushov, Dmitry V. and Gregory A. Voth}
}
@article {491,
	title = {Quantum Dynamical Simulation of the Energy Relaxation Rate of the CN- Ion in Water},
	journal = {The Journal of Physical Chemistry A},
	volume = {103},
	number = {49},
	year = {1999},
	pages = {10289-10293},
	doi = {10.1021/jp9925177},
	author = {Jang, Soonmin and Pak, Youngshang and Gregory A. Voth}
}
@article {489,
	title = {Quantum Molecular Dynamics Simulations of Low-Temperature High Energy Density Matter: Solid p-H2/Li and p-H2/B},
	journal = {The Journal of Physical Chemistry A},
	volume = {103},
	number = {47},
	year = {1999},
	pages = {9512-9520},
	doi = {10.1021/jp992098d},
	author = {Jang, Soonmin and Jang, Seogjoo and Gregory A. Voth}
}
@article {562,
	title = {A Theory of Electron Transfer and Steady-State Optical Spectra of Chromophores with Varying Electronic Polarizability},
	journal = {The Journal of Physical Chemistry A},
	volume = {103},
	number = {50},
	year = {1999},
	pages = {10981-10992},
	doi = {10.1021/jp991246x},
	author = {Matyushov, Dmitry V. and Gregory A. Voth}
}
@article {401,
	title = {The Computer Simulation of Correlated Electron Transfer Across the Electrode/Electrolyte Interface Involving Multiple Redox Species},
	journal = {The Journal of Chemical Physics},
	volume = {109},
	number = {11},
	year = {1998},
	pages = {4569-4575},
	keywords = {digital simulation free energy molecular dynamics method electrodes surface chemistry electrolysis},
	doi = {10.1063/1.477061},
	author = {August Calhoun and Gregory A. Voth}
}
@article {421,
	title = {Exact Exchange in ab initio Molecular Dynamics: An Efficient Plane-wave based Algorithm},
	journal = {The Journal of Chemical Physics},
	volume = {108},
	number = {12},
	year = {1998},
	pages = {4697-4700},
	keywords = {ab initio calculations molecular dynamics method HF calculations exchange interactions (electron) pseudopotential methods},
	doi = {10.1063/1.476307},
	author = {Chawla, Sanjay and Gregory A. Voth}
}
@article {400,
	title = {Isotope Effects in Electron Transfer across the Electrode-Electrolyte Interface: A Measure of Solvent Mode Quantization},
	journal = {The Journal of Physical Chemistry B},
	volume = {102},
	number = {43},
	year = {1998},
	pages = {8563-8568},
	doi = {10.1021/jp982633u},
	author = {August Calhoun and Gregory A. Voth}
}
@article {494,
	title = {Lithium Impurity Recombination in Solid Para-hydrogen: A Path Integral Quantum Transition State Theory Study},
	journal = {The Journal of Chemical Physics},
	volume = {108},
	number = {10},
	year = {1998},
	pages = {4098-4106},
	keywords = {lithium impurities association atom-atom reactions reaction kinetics molecular dynamics method free energy solid hydrogen vacancies (crystal)},
	doi = {10.1063/1.475807},
	author = {Jang, Seogjoo and Gregory A. Voth}
}
@article {635,
	title = {Multistate Empirical Valence Bond Model for Proton Transport in Water},
	journal = {The Journal of Physical Chemistry B},
	volume = {102},
	number = {29},
	year = {1998},
	pages = {5547-5551},
	doi = {10.1021/jp9818131},
	author = {Udo W. Schmitt and Gregory A. Voth}
}
@article {552,
	title = {Proton Transfer in the Enzyme Carbonic Anhydrase: An ab Initio Study},
	journal = {Journal of the American Chemical Society},
	volume = {120},
	number = {16},
	year = {1998},
	pages = {4006-4014},
	doi = {10.1021/ja973397o},
	author = {Lu, Dongsheng and Gregory A. Voth}
}
@article {639,
	title = {The Semiclassical Calculation of Nonadiabatic Tunneling Rates},
	journal = {The Journal of Chemical Physics},
	volume = {108},
	number = {3},
	year = {1998},
	pages = {1055-1062},
	keywords = {tunnelling chemical reactions charge exchange Newton-Raphson method},
	doi = {10.1063/1.475467},
	author = {Schwieters, Charles D. and Gregory A. Voth}
}
@article {518,
	title = {A Three-dimensional Potential Energy Surface for Dissociative Adsorption and Associative Desorption at Metal Electrodes},
	journal = {The Journal of Chemical Physics},
	volume = {109},
	number = {5},
	year = {1998},
	pages = {1991-2001},
	keywords = {adsorption desorption potential energy surfaces work function association dissociation surface chemistry interface phenomena},
	doi = {10.1063/1.476775},
	author = {Koper, Marc T. M. and Gregory A. Voth}
}
@article {581,
	title = {Classical and Quantum Transition State Theory for the Diffusion of Helium in Silica Sodalite},
	journal = {The Journal of Physical Chemistry B},
	volume = {101},
	number = {4},
	year = {1997},
	pages = {491-503},
	doi = {10.1021/jp9620678},
	author = {Murphy, Michael J. and Gregory A. Voth and Bug, Amy L. R.}
}
@article {667,
	title = {A First-Principles Simulation of the Semiconductor/Water Interface},
	journal = {The Journal of Chemical Physics},
	volume = {106},
	number = {7},
	year = {1997},
	pages = {2811-2818},
	keywords = {interface states digital simulation molecular dynamics method ab initio calculations pseudopotential methods},
	doi = {10.1063/1.473794},
	author = {C. P. Ursenbach and August Calhoun and Gregory A. Voth}
}
@article {577,
	title = {Potential Energy Surfaces for Chemical Reactions: An Analytical Representation from Coarse Grained Data with an Application to Proton Transfer in Water},
	journal = {The Journal of Physical Chemistry B},
	volume = {101},
	number = {23},
	year = {1997},
	pages = {4544-4552},
	doi = {10.1021/jp970036m},
	author = {Minichino, Camilla and Gregory A. Voth}
}
@article {601,
	title = {Quantum Effects and the Excess Proton in Water},
	journal = {The Journal of Chemical Physics},
	volume = {107},
	number = {18},
	year = {1997},
	pages = {7428-7432},
	keywords = {water isotope effects ion exchange digital simulation infrared spectra density functional theory molecular dynamics method},
	doi = {10.1063/1.474980},
	author = {Pavese, Marc and Chawla, Sanjay and Lu, Dongsheng and Lobaugh, John and Gregory A. Voth}
}
@article {550,
	title = {A Quantum Model for Water: Equilibrium and Dynamical Properties},
	journal = {The Journal of Chemical Physics},
	volume = {106},
	number = {6},
	year = {1997},
	pages = {2400-2410},
	keywords = {water molecular dynamics method quantum theory liquid theory dielectric relaxation permittivity liquid structure red shift thermodynamic properties nuclear magnetic resonance vibrational modes},
	doi = {10.1063/1.473151},
	author = {J. Lobaugh and Gregory A. Voth}
}
@article {493,
	title = {Simple Reversible Molecular Dynamics Algorithms for Nos[e-acute]{\textendash}Hoover Chain Dynamics},
	journal = {The Journal of Chemical Physics},
	volume = {107},
	number = {22},
	year = {1997},
	pages = {9514-9526},
	keywords = {molecular dynamics method harmonic oscillators},
	doi = {10.1063/1.475247},
	author = {Jang, Seogjoo and Gregory A. Voth}
}
@article {391,
	title = {A Theory for Electron Transfer across the Electrode/Electrolyte Interface Involving more than One Redox Ion},
	journal = {The Journal of Chemical Physics},
	volume = {107},
	number = {21},
	year = {1997},
	pages = {8940-8954},
	keywords = {free energy electrodes interface phenomena electrochemistry},
	doi = {10.1063/1.475186},
	author = {Yuri G. Boroda and August Calhoun and Gregory A. Voth}
}
@article {416,
	title = {A Unified Framework for Quantum Activated Rate Processes. II. The Nonadiabatic Limit},
	journal = {The Journal of Chemical Physics},
	volume = {106},
	number = {5},
	year = {1997},
	pages = {1769-1779},
	keywords = {reaction rate constants chemical reactions reaction kinetics theory},
	doi = {10.1063/1.474123},
	author = {Jianshu Cao and Gregory A. Voth}
}
@article {399,
	title = {Electron Transfer Across the Electrode/Electrolyte Interface: Influence of Redox Ion Mobility and Counterions},
	journal = {The Journal of Physical Chemistry},
	volume = {100},
	number = {25},
	year = {1996},
	pages = {10746-10753},
	doi = {10.1021/jp960603q},
	author = {August Calhoun and Gregory A. Voth}
}
@article {404,
	title = {A Novel Method for Simulating Quantum Dissipative Systems},
	journal = {The Journal of Chemical Physics},
	volume = {104},
	number = {11},
	year = {1996},
	pages = {4189-4197},
	keywords = {ALGORITHMS BOSONS DISSIPATIVE STRUCTURES DYNAMICAL SYSTEMS FEYNMAN PATH INTEGRAL GAUSS POTENTIAL HAMILTONIANS HARMONIC OSCILLATORS QUANTUM MECHANICS SIMULATION SPIN WAVE PROPAGATION},
	doi = {10.1063/1.471230},
	author = {Jianshu Cao and Ungar, Lowell W. and Gregory A. Voth}
}
@article {549,
	title = {The Quantum Dynamics of an Excess Proton in Water},
	journal = {The Journal of Chemical Physics},
	volume = {104},
	number = {5},
	year = {1996},
	pages = {2056-2069},
	keywords = {CHARGE TRANSPORT EXCHANGE INTERACTIONS INFRARED SPECTRA MICROSTRUCTURE MOLECULAR CLUSTERS POLARIZATION PROTONS QUANTUM MECHANICS SOLVATION WATER HYDROGEN BONDS},
	doi = {10.1063/1.470962},
	author = {J. Lobaugh and Gregory A. Voth}
}
@article {413,
	title = {Semiclassical Approximations to Quantum Dynamical Time Correlation Functions},
	journal = {The Journal of Chemical Physics},
	volume = {104},
	number = {1},
	year = {1996},
	pages = {273-285},
	keywords = {ALGORITHMS CORRELATION FUNCTIONS MANY-BODY PROBLEM REAL TIME SYSTEMS SEMICLASSICAL APPROXIMATION},
	doi = {10.1063/1.470898},
	author = {Jianshu Cao and Gregory A. Voth}
}
@article {392,
	title = {A Theory for Adiabatic Electron Transfer Processes across the Semiconductor/Electrolyte Interface},
	journal = {The Journal of Chemical Physics},
	volume = {104},
	number = {16},
	year = {1996},
	pages = {6168-6183},
	keywords = {ELECTRON TRANSFER ELECTRODES ELECTROLYTES CHARGE EXCHANGE PHOTOELECTROCHEMICAL CELLS DESIGN ELECTROCHEMISTRY SURFACE REACTIONS INTERFACES SEMICONDUCTOR MATERIALS},
	doi = {10.1063/1.471274},
	author = {Yuri G. Boroda and Gregory A. Voth}
}
@article {687,
	title = {Transition State Dynamics and Relaxation Processes in Solutions: A Frontier of Physical Chemistry},
	journal = {The Journal of Physical Chemistry},
	volume = {100},
	number = {31},
	year = {1996},
	pages = {13034-13049},
	doi = {10.1021/jp960317e},
	author = {Gregory A. Voth and Hochstrasser, Robin M.}
}
@article {414,
	title = {A Unified Framework for Quantum Activated Rate Processes. I. General Theory},
	journal = {The Journal of Chemical Physics},
	volume = {105},
	number = {16},
	year = {1996},
	pages = {6856-6870},
	keywords = {QUANTUM CHEMISTRY CHEMICAL REACTION KINETICS REACTION RATES PARTITION FUNCTIONS FEYNMAN PATH INTEGRAL ACTIVATION ENERGY HAMILTONIANS TUNNELING},
	doi = {10.1063/1.471980},
	author = {Jianshu Cao and Gregory A. Voth}
}
@article {650,
	title = {Calculation of Solvent Free Energies for Heterogeneous Electron Transfer at the Water{\textendash}metal Interface: Classical Versus Quantum Behavior},
	journal = {The Journal of Chemical Physics},
	volume = {102},
	number = {1},
	year = {1995},
	pages = {529-539},
	keywords = {ELECTRON TRANSFER WATER PLATINUM QUANTUM MECHANICS CLASSICAL MECHANICS COMPUTERIZED SIMULATION ADIABATIC PROCESSES IRON IONS SOLUTIONS ELECTRODES CHEMICAL REACTIONS FREE ENERGY SAMPLING MOLECULAR DYNAMICS CALCULATIONS REACTION RATES FEYNMAN PATH INTEGRAL},
	doi = {10.1063/1.469431},
	author = {Straus, Jay B. and August Calhoun and Gregory A. Voth}
}
@article {403,
	title = {The Computation of Electron Transfer Rates: The Nonadiabatic Instanton Solution},
	journal = {The Journal of Chemical Physics},
	volume = {103},
	number = {4},
	year = {1995},
	pages = {1391-1399},
	keywords = {ELECTRON TRANSFER DIABATIC APPROXIMATION ADIABATIC PROCESSES INSTANTONS SELFCONSISTENT FIELD COUPLING POTENTIALS CALCULATION METHODS},
	doi = {10.1063/1.469762},
	author = {Jianshu Cao and Minichino, Camilla and Gregory A. Voth}
}
@article {668,
	title = {Effect of Solvent on Semiconductor Surface Electronic States: A First-principles Study},
	journal = {The Journal of Chemical Physics},
	volume = {103},
	number = {17},
	year = {1995},
	pages = {7569-7575},
	keywords = {AB INITIO CALCULATIONS CRYSTAL STRUCTURE DISSOCIATION ELECTRONS INTERFACES SEMICONDUCTOR MATERIALS SILICON SOLVENTS SURFACES SYMMETRY BREAKING},
	doi = {10.1063/1.470274},
	author = {C. P. Ursenbach and Gregory A. Voth}
}
@article {461,
	title = {On the Feynman Path Centroid Density as a Phase Space Distribution in Quantum Statistical Mechanics},
	journal = {The Journal of Chemical Physics},
	volume = {103},
	number = {12},
	year = {1995},
	pages = {5018-5026},
	keywords = {DISTRIBUTION FUNCTIONS FEYNMAN PATH INTEGRAL PARTITION FUNCTIONS PHASE SPACE QUANTUM OPERATORS WIGNER DISTRIBUTION QUANTUM CHEMISTRY QUANTUM STATISTICAL MECHANICS},
	doi = {10.1063/1.470588},
	author = {Hernandez, Rigoberto and Jianshu Cao and Gregory A. Voth}
}
@article {411,
	title = {Modeling Physical Systems by Effective Harmonic Oscillators: The Optimized Quadratic Approximation},
	journal = {The Journal of Chemical Physics},
	volume = {102},
	number = {8},
	year = {1995},
	pages = {3337-3348},
	keywords = {HARMONIC OSCILLATORS OPTIMIZATION MATHEMATICS MAPPING POTENTIAL ENERGY MANYBODY PROBLEM TEMPERATURE DISTRIBUTION PARTITION FUNCTIONS RENORMALIZATION},
	doi = {10.1063/1.469207},
	author = {Jianshu Cao and Gregory A. Voth}
}
@article {457,
	title = {Reaction-Coordinate-Dependent Friction in Classical Activated Barrier Crossing Dynamics: When it Matters and When it Doesn{\textquoteright}t},
	journal = {The Journal of Chemical Physics},
	volume = {103},
	number = {23},
	year = {1995},
	pages = {10176-10182},
	keywords = {CHEMICAL REACTION KINETICS DAMPING FRICTION LANGEVIN EQUATION REACTION RATES SOLVENT EFFECTS STATISTICAL MECHANICS},
	doi = {10.1063/1.469920},
	author = {Haynes, George R. and Gregory A. Voth}
}
@article {412,
	title = {A Theory for Time Correlation Functions in Liquids},
	journal = {The Journal of Chemical Physics},
	volume = {103},
	number = {10},
	year = {1995},
	pages = {4211-4220},
	keywords = {CORRELATION FUNCTIONS FLUCTUATIONS LIQUIDS MOLECULAR DYNAMICS CALCULATIONS OPTIMIZATION POTENTIAL ENERGY SIMULATION VIBRATIONAL STATES},
	doi = {10.1063/1.470660},
	author = {Jianshu Cao and Gregory A. Voth}
}
@article {459,
	title = {DA Theory for the Activated Barrier Crossing Rate Constant in Systems Influenced by Space and Time Dependent Friction},
	journal = {The Journal of Chemical Physics},
	volume = {101},
	number = {9},
	year = {1994},
	pages = {7811-7822},
	keywords = {POTENTIAL BARRIER REACTION RATES TUNNEL EFFECT FRICTION TIME DEPENDENCE COORDINATES THERMOCHEMICAL PROCESSES LANGEVIN EQUATION DAMPING LIQUIDS SOLIDS MODIFICATIONS ACTIVATION ENERGY},
	doi = {10.1063/1.468274},
	author = {Haynes, George R. and Gregory A. Voth and Pollak, Eli}
}
@article {449,
	title = {First-principles Molecular Dynamics Study of Surface Vibrations and Vibrational Mode Coupling on the H/Si(111)1 x 1 Surface},
	journal = {The Journal of Chemical Physics},
	volume = {101},
	number = {2},
	year = {1994},
	pages = {1734-1737},
	keywords = {AB INITIO CALCULATIONS MOLECULAR DYNAMICS CALCULATIONS HYDROGEN VIBRATIONAL STATES COUPLING SILICON ANHARMONICITY BAND SPECTRA SURFACE PHONONS},
	doi = {10.1063/1.467729},
	author = {Gai, Huadong and Gregory A. Voth}
}
@article {409,
	title = { The Formulation of Quantum Statistical Mechanics based on the Feynman Path Centroid Density. V. Quantum Instantaneous Normal Mode Theory of Liquids},
	journal = {The Journal of Chemical Physics},
	volume = {101},
	number = {7},
	year = {1994},
	pages = {6184-6192},
	keywords = {QUANTUM STATISTICAL MECHANICS FEYNMAN PATH INTEGRAL NORMALMODE ANALYSIS LIQUIDS VARIATIONAL METHODS POTENTIALS PHASE SPACE MANYDIMENSIONAL CALCULATIONS AUTOCORRELATIONS VELOCITY LENNARDJONES POTENTIAL PHONON SPECTRA},
	doi = {10.1063/1.468400},
	author = {Jianshu Cao and Gregory A. Voth}
}
@article {406,
	title = {The Formulation of Quantum Statistical Mechanics based on the Feynman Path Centroid Density. I. Equilibrium Properties},
	journal = {The Journal of Chemical Physics},
	volume = {100},
	number = {7},
	year = {1994},
	pages = {5093-5105},
	keywords = {QUANTUM STATISTICAL MECHANICS FEYNMAN PATH INTEGRAL EQUILIBRIUM ENSEMBLE RENORMALIZATION PERTURBATION THEORY},
	doi = {10.1063/1.467175},
	author = {Jianshu Cao and Gregory A. Voth}
}
@article {407,
	title = {The Formulation of Quantum Statistical Mechanics based on the Feynman Path Centroid Density. II. Dynamical Properties},
	journal = {The Journal of Chemical Physics},
	volume = {100},
	number = {7},
	year = {1994},
	pages = {5106-5117},
	keywords = {QUANTUM STATISTICAL MECHANICS FEYNMAN PATH INTEGRAL EQUILIBRIUM CORRELATION FUNCTIONS ENSEMBLE},
	doi = {10.1063/1.467176},
	author = {Jianshu Cao and Gregory A. Voth}
}
@article {408,
	title = {The Formulation of Quantum Statistical Mechanics based on the Feynman Path Centroid Density. IV. Algorithms for Centroid Molecular Dynamics},
	journal = {The Journal of Chemical Physics},
	volume = {101},
	number = {7},
	year = {1994},
	pages = {6168-6183},
	keywords = {QUANTUM STATISTICAL MECHANICS FEYNMAN PATH INTEGRAL NUMERICAL SOLUTION ALGORITHMS MOLECULAR DYNAMICS CALCULATIONS CORRELATION FUNCTIONS MANYBODY PROBLEM NORMALMODE ANALYSIS MONTE CARLO METHOD},
	doi = {10.1063/1.468399},
	author = {Jianshu Cao and Gregory A. Voth}
}
@article {410,
	title = {The Formulation of Quantum Statistical Mechanics based on the Feynman Path Centroid Density. III. Phase Space Formalism and Analysis of Centroid Molecular Dynamics},
	journal = {The Journal of Chemical Physics},
	volume = {101},
	number = {7},
	year = {1994},
	pages = {6157-6167},
	keywords = {QUANTUM STATISTICAL MECHANICS FEYNMAN PATH INTEGRAL PHASE SPACE MOLECULAR DYNAMICS CALCULATIONS CORRELATION FUNCTIONS MANYDIMENSIONAL CALCULATIONS MATRICES},
	doi = {10.1063/1.468503},
	author = {Jianshu Cao and Gregory A. Voth}
}
@article {548,
	title = {A Path Integral Study of Electronic Polarization and Nonlinear Coupling Effects in Condensed Phase Proton Transfer Reactions},
	journal = {The Journal of Chemical Physics},
	volume = {100},
	number = {4},
	year = {1994},
	pages = {3039-3047},
	keywords = {POLAR SOLVENTS PROTON REACTIONS TRANSFER REACTIONS FEYNMAN PATH INTEGRAL POLARIZATION QUANTUM CHEMISTRY DRUDE MODEL TUNNEL EFFECT ACTIVATION ENERGY FREE ENERGY REACTION RATES COUPLING NONLINEAR PROBLEMS},
	doi = {10.1063/1.466445},
	author = {Lobaugh, John and Gregory A. Voth}
}
@article {656,
	title = {Vibrational Energy Relaxation Dynamics of C{\textendash}H Stretching Modes on the Hydrogen-terminated H/C(111)1 x 1 Surface},
	journal = {The Journal of Chemical Physics},
	volume = {100},
	number = {4},
	year = {1994},
	pages = {3247-3251},
	keywords = {VIBRATIONAL STATES RELAXATION HYDROGEN CARBON ADSORBATES SUBSTRATES CLASSICAL MECHANICS MOLECULAR DYNAMICS CALCULATIONS BLOCH THEORY LIFETIME TEMPERATURE RANGE 02730400 K HARMONICS},
	doi = {10.1063/1.466414},
	author = {Sun, Ying-Chieh and Gai, Huadong and Gregory A. Voth}
}
@article {653,
	title = {A Computer Simulation Study of Free Energy Curves in Heterogeneous Electron Transfer},
	journal = {The Journal of Physical Chemistry},
	volume = {97},
	number = {29},
	year = {1993},
	pages = {7388-7391},
	doi = {10.1021/j100131a003},
	author = {Straus, Jay B. and Gregory A. Voth}
}
@article {456,
	title = {The Dependence of the Potential of Mean Force on the Solvent Friction: Consequences for Condensed Phase activated Rate Theories},
	journal = {The Journal of Chemical Physics},
	volume = {99},
	number = {10},
	year = {1993},
	pages = {8005-8008},
	keywords = {SOLVENTS FRICTION POTENTIALS CHEMICAL REACTIONS COORDINATES LIQUIDS CORRECTIONS FORCES LANGEVIN EQUATION},
	doi = {10.1063/1.465677},
	author = {Haynes, George R. and Gregory A. Voth}
}
@article {681,
	title = {Feynman Path Integral Formulation of Quantum Mechanical Transition-state Theory},
	journal = {The Journal of Physical Chemistry},
	volume = {97},
	number = {32},
	year = {1993},
	pages = {8365-8377},
	doi = {10.1021/j100134a002},
	author = {Gregory A. Voth}
}
@article {384,
	title = {Integral Equation Calculation of Solvent Activation Free Energies for Electron- and Proton-transfer Reactions},
	journal = {The Journal of Physical Chemistry},
	volume = {97},
	number = {43},
	year = {1993},
	pages = {11253-11257},
	doi = {10.1021/j100145a023},
	author = {Bhattacharya-Kodali, Indrani and Gregory A. Voth}
}
@article {651,
	title = {Manifestations of Spatially Dependent Friction in Classical Activated Rate Processes},
	journal = {The Journal of Chemical Physics},
	volume = {98},
	number = {5},
	year = {1993},
	pages = {4082-4097},
	keywords = {CHEMICAL REACTIONS FRICTION SPACE DEPENDENCE CLASSICAL MECHANICS NONLINEAR PROBLEMS COUPLING MANYDIMENSIONAL CALCULATIONS HARMONIC OSCILLATORS FLUCTUATIONS CHARGE EXCHANGE POLARIZABILITY SOLVENTS ENERGY LOSSES COMPUTERIZED SIMULATION MATHEMATICS DAMPING},
	doi = {10.1063/1.465044},
	author = {Straus, Jay B. and Llorente, Jose M. Gomez and Gregory A. Voth}
}
@article {631,
	title = {Nature of Lithium Trapping Sites in the Quantum Solids Para-hydrogen and Ortho-deuterium},
	journal = {The Journal of Chemical Physics},
	volume = {99},
	number = {11},
	year = {1993},
	pages = {9013-9020},
	keywords = {HYDROGEN DEUTERIUM QUANTUM STATISTICAL MECHANICS FEYNMAN PATH INTEGRAL LITHIUM IMPURITIES ELECTRONIC STRUCTURE TRAPPING SOLVATION QUANTUM SOLIDS COMPRESSIBILITY DIPOLES LINE BROADENING},
	doi = {10.1063/1.465569},
	author = {Scharf, Daphna and Martyna, Glenn J. and Li, Daohui and Gregory A. Voth and Klein, Michael L.}
}
@article {405,
	title = {A New Perspective on Quantum Time Correlation Functions},
	journal = {The Journal of Chemical Physics},
	volume = {99},
	number = {12},
	year = {1993},
	pages = {10070-10073},
	keywords = {FEYNMAN PATH INTEGRAL CORRELATION FUNCTIONS AUTOCORRELATIONS TIMING PROPERTIES PARTITION FUNCTIONS ALGORITHMS MANYBODY PROBLEM},
	doi = {10.1063/1.465512},
	author = {Jianshu Cao and Gregory A. Voth}
}
@article {658,
	title = {Path Integral Calculation of Hydrogen Diffusion Rates on Metal Surfaces},
	journal = {The Journal of Chemical Physics},
	volume = {98},
	number = {9},
	year = {1993},
	pages = {7451-7458},
	keywords = {FEYNMAN PATH INTEGRAL HYDROGEN DIFFUSION METALS SURFACES COVERINGS TUNNEL EFFECT MANYDIMENSIONAL CALCULATIONS VIBRATIONAL STATES QUANTIZATION DISTORTION SURFACE PHONONS FLUCTUATIONS THERMAL INSTABILITIES ELECTRONHOLE DROPLETS ENERGY LOSSES COPPER CORRELAT},
	doi = {10.1063/1.464683},
	author = {Sun, Ying-Chieh and Gregory A. Voth}
}
@article {447,
	title = {A Computer Simulation Method for Studying the Ablation of Polymer Surfaces by Ultraviolet Laser Radiation},
	journal = {Journal of Applied Physics},
	volume = {71},
	number = {3},
	year = {1992},
	pages = {1415-1420},
	keywords = {POLYMERS ABLATION ULTRAVIOLET RADIATION LASERRADIATION HEATING COMPUTERIZED SIMULATION MOLECULAR DYNAMICS CALCULATIONS ALGORITHMS PHOTOCHEMICAL REACTIONS},
	doi = {10.1063/1.351263},
	author = {Gai, Huadong and Gregory A. Voth}
}
@article {574,
	title = {Critical Comparison of Approximate and Accurate Quantum-mechanical Calculations of Rate Constants for a Model Activated Reaction in Solution},
	journal = {The Journal of Chemical Physics},
	volume = {97},
	number = {10},
	year = {1992},
	pages = {7392-7404},
	keywords = {QUANTUM MECHANICS ACCURACY SOLUTIONS CHEMICAL REACTION KINETICS VARIATIONAL METHODS CORRECTIONS SEMICLASSICAL APPROXIMATION FEYNMAN PATH INTEGRAL HARMONIC OSCILLATORS},
	doi = {10.1063/1.463511},
	author = {McRae, Robin P. and Schenter, Gregory K. and Garrett, Bruce C. and Haynes, George R. and Gregory A. Voth and Schatz, George C.}
}
@article {394,
	title = {Nonlinear Vibrational Dynamics of a Neon Atom in Fullerene (C60)},
	journal = {The Journal of Physical Chemistry},
	volume = {96},
	number = {20},
	year = {1992},
	pages = {7864-7869},
	doi = {10.1021/j100199a007},
	author = {Bug, Amy L. R. and Wilson, Amy and Gregory A. Voth}
}
@article {546,
	title = {A Partial Averaging Strategy for Low Temperature Fourier Path Integral Monte Carlo Calculations},
	journal = {The Journal of Chemical Physics},
	volume = {97},
	number = {6},
	year = {1992},
	pages = {4205-4214},
	keywords = {MONTE CARLO METHOD FOURIER ANALYSIS FEYNMAN PATH INTEGRAL EQUILIBRIUM DYNAMICAL SYSTEMS TEMPERATURE DEPENDENCE SOLIDS LIQUIDS MORSE POTENTIAL},
	doi = {10.1063/1.463923},
	author = {Lobaugh, John and Gregory A. Voth}
}
@article {536,
	title = {A Path integral Einstein Model for Characterizing the Equilibrium States of Low Temperature Solids},
	journal = {The Journal of Chemical Physics},
	volume = {96},
	number = {7},
	year = {1992},
	pages = {5340-5353},
	keywords = {FEYNMAN PATH INTEGRAL VARIATIONAL METHODS SOLIDS EQUILIBRIUM TEMPERATURE DEPENDENCE FREE ENERGY ENTROPY INTERNAL ENERGY ANGULAR CORRELATION IMPURITY STATES HARMONIC OSCILLATORS HYDROGEN USES LITHIUM ENERGY LEVELS FREE ENTHALPY THERMODYNAMIC PROPERTIES},
	doi = {10.1063/1.462719},
	author = {Li, Daohui and Gregory A. Voth}
}
@article {652,
	title = {Studies on the Influence of Nonlinearity in Classical Activated Rate Processes},
	journal = {The Journal of Chemical Physics},
	volume = {96},
	number = {7},
	year = {1992},
	pages = {5460-5470},
	keywords = {NONLINEAR PROBLEMS ACCURACY LANGEVIN EQUATION CHEMICAL REACTIONS ACTIVATION ENERGY DEGREES OF FREEDOM CLASSICAL MECHANICS HAMILTONIANS COUPLING COORDINATES CORRELATION FUNCTIONS NUMERICAL DATA},
	doi = {10.1063/1.462893},
	author = {Straus, Jay B. and Gregory A. Voth}
}
@article {680,
	title = {A Theory for Treating Spatially-dependent Friction in Classical Activated Rate Processes},
	journal = {The Journal of Chemical Physics},
	volume = {97},
	number = {8},
	year = {1992},
	pages = {5908-5910},
	keywords = {FRICTION ACTIVATION ENERGY CLASSICAL MECHANICS CHEMICAL REACTIONS VARIATIONAL METHODS SPACE DEPENDENCE SOLVENTS},
	doi = {10.1063/1.463751},
	author = {Gregory A. Voth}
}
@article {692,
	title = {An Effective Barrier Model for Describing Quantum Mechanical Activated Rate Processes in Condensed Phases},
	journal = {The Journal of Chemical Physics},
	volume = {94},
	number = {11},
	year = {1991},
	pages = {7342-7352},
	keywords = {CHEMICAL REACTION KINETICS QUANTUM CHEMISTRY FEYNMAN PATH INTEGRAL ACTIVATION ENERGY QUANTUM MECHANICS SOLIDS LIQUIDS MATHEMATICAL MODELS},
	doi = {10.1063/1.460218},
	author = {Gregory A. Voth and O{\textquoteright}Gorman, Eileen V.}
}
@article {535,
	title = {Feynman Path Integral Approach for Studying Intramolecular Effects in Proton-transfer Reactions},
	journal = {The Journal of Physical Chemistry},
	volume = {95},
	number = {25},
	year = {1991},
	pages = {10425-10431},
	doi = {10.1021/j100178a033},
	author = {Li, Daohui and Gregory A. Voth}
}
@article {678,
	title = {On the Use of Feynman{\textendash}Hibbs Effective Potentials to Calculate Quantum Mechanical Free Energies of Activation},
	journal = {The Journal of Chemical Physics},
	volume = {94},
	number = {5},
	year = {1991},
	pages = {4095-4096},
	keywords = {ACTIVATION ENERGY QUANTUM CHEMISTRY POTENTIALS HOPPING SITE OCCUPATION COPPER HYDROGEN ATOM TRANSPORT DIFFUSIVITY CHEMICAL REACTION KINETICS},
	doi = {10.1063/1.460640},
	author = {Gregory A. Voth}
}
@article {655,
	title = {Infrared Laser-induced Chaos and Conformational Disorder in a Model Polymer Crystal: Melting vs Ablation},
	journal = {The Journal of Chemical Physics},
	volume = {93},
	number = {8},
	year = {1990},
	pages = {6081-6091},
	keywords = {COMPUTERIZED SIMULATION LASER RADIATION INFRARED RADIATION POLYMERS MELTING LASERRADIATION HEATING ABLATION ENERGY ABSORPTION PHYSICAL RADIATION EFFECTS DAMAGE MOLECULAR DYNAMICS CALCULATIONS SURFACE DAMAGE},
	doi = {10.1063/1.459496},
	author = {Sumpter, Bobby G. and Gregory A. Voth and Noid, Donald W. and Wunderlich, Bernard}
}
@article {686,
	title = {Rigorous Formulation of Quantum Transition State Theory and its Dynamical Corrections},
	journal = {The Journal of Chemical Physics},
	volume = {91},
	number = {12},
	year = {1989},
	pages = {7749-7760},
	keywords = {QUANTUM MECHANICS ELECTRON TRANSFER IONIZATION CHEMICAL REACTION KINETICS ALGORITHMS QUANTUM STATISTICAL MECHANICS},
	doi = {10.1063/1.457242},
	author = {Gregory A. Voth and Chandler, David and Miller, William H.}
}
@article {685,
	title = {Time Correlation Function and Path Integral Analysis of Quantum Rate Constants},
	journal = {The Journal of Physical Chemistry},
	volume = {93},
	number = {19},
	year = {1989},
	pages = {7009-7015},
	doi = {10.1021/j100356a025},
	author = {Gregory A. Voth and Chandler, David and Miller, William H.}
}
@article {675,
	title = {An Effective Golden Rule Decay Rate Expression for Quasidissipative IVR Processes},
	journal = {The Journal of Chemical Physics},
	volume = {88},
	number = {9},
	year = {1988},
	pages = {5547-5552},
	keywords = {POLYATOMIC MOLECULES VIBRATIONAL STATES ENERGY TRANSFER LINE WIDTHS},
	doi = {10.1063/1.454754},
	author = {Gregory A. Voth}
}
@article {674,
	title = {Quasidissipative Intramolecular Dynamics: An Adiabatically Reduced Coupled Equations Approach},
	journal = {The Journal of Chemical Physics},
	volume = {87},
	number = {9},
	year = {1987},
	pages = {5272-5279},
	keywords = {VIBRATIONAL STATES DISTRIBUTION POLYATOMIC MOLECULES DYNAMICS RADIATIONLESS DECAY},
	doi = {10.1063/1.453670},
	author = {Gregory A. Voth}
}
@article {690,
	title = {Adiabatically Reduced Coupled Equations for Intramolecular Dynamics Calculations},
	journal = {The Journal of Chemical Physics},
	volume = {84},
	number = {4},
	year = {1986},
	pages = {2254-2261},
	keywords = {QUANTUM MECHANICS POLYATOMIC MOLECULES DYNAMICS VIBRONIC STATES},
	doi = {10.1063/1.450388},
	author = {Gregory A. Voth and Marcus, R. A.}
}
@article {688,
	title = {Semiclassical Dressed State Theory for the Vibrational Excitation of a Morse Oscillator by Radiation},
	journal = {The Journal of Physical Chemistry},
	volume = {89},
	number = {11},
	year = {1985},
	pages = {2208-2213},
	doi = {10.1021/j100257a015},
	author = {Gregory A. Voth and Marcus, R. A.}
}
@article {689,
	title = {Semiclassical Theory of Fermi Resonance between Stretching and Bending Modes in Polyatomic Molecules},
	journal = {The Journal of Chemical Physics},
	volume = {82},
	number = {9},
	year = {1985},
	pages = {4064-4072},
	keywords = {POLYATOMIC MOLECULES FERMI RESONANCE OSCILLATION MODES VIBRATIONAL STATES SEMICLASSICAL APPROXIMATION},
	doi = {10.1063/1.448847},
	author = {Gregory A. Voth and Marcus, R. A.}
}
