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Journal of the American Chemical Society|June 12, 2013
Adenosine triphosphate hydrolysis mechanism in kinesin studied by combined quantum-mechanical/molecular-mechanical metadynamics simulationsMatthew J McGrath, I-F Will Kuo, Shigehiko Hayashi, et al.Physical Chemistry Chemical Physics : PCCP|May 29, 2010
First principles Monte Carlo simulations of aggregation in the vapor phase of hydrogen fluorideMatthew J McGrath, Julius N Ghogomu, Christopher J Mundy, et al.The Journal of Physical Chemistry. B|August 11, 2011
Vapor-liquid coexistence curves for methanol and methane using dispersion-corrected density functional theoryMatthew J McGrath, I-F Will Kuo, Julius N Ghogomu, et al.The Journal of Chemical Physics|June 6, 2008
Ultrafast transformation of graphite to diamond: an ab initio study of graphite under shock compressionChristopher J Mundy, Alessandro Curioni, Nir Goldman, et al.The Journal of Chemical Physics|October 7, 2011
Re-examining the properties of the aqueous vapor-liquid interface using dispersion corrected density functional theoryMarcel D Baer, Christopher J Mundy, Matthew J McGrath, et al.The Journal of Physical Chemistry. B|February 24, 2006
Structure and dynamics of the aqueous liquid-vapor interface: a comprehensive particle-based simulation studyI-F Will Kuo, Christopher J Mundy, Becky L Eggimann, et al.Physical Chemistry Chemical Physics : PCCP|July 9, 2013
Calculation of the Gibbs free energy of solvation and dissociation of HCl in water via Monte Carlo simulations and continuum solvation modelsMatthew J McGrath, I-F Will Kuo, Brice F Ngouana W, et al.Pageof 1