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Journal of the American Chemical Society|January 13, 2005
Trimer based polarization as a multibody molecular model. Application to hydrogen fluorideScott J Wierzchowski, David A KofkeThe Journal of Physical Chemistry. B|April 14, 2023
Origins of the Failure of the Activity Virial SeriesDavid A KofkeThe Journal of Chemical Physics|July 21, 2004
Comment on "The incomplete beta function law for parallel tempering sampling of classical canonical systems" [J. Chem. Phys. 120, 4119 (2004)]David A KofkeThe Journal of Chemical Physics|November 6, 2004
Model for small-sample bias of free-energy calculations applied to Gaussian-distributed nonequilibrium work measurementsDi Wu, David A KofkeThe Journal of Chemical Physics|August 20, 2005
Phase-space overlap measures. I. Fail-safe bias detection in free energies calculated by molecular simulationDi Wu, David A KofkePhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|February 9, 2005
Asymmetric bias in free-energy perturbation measurements using two Hamiltonian-based modelsDi Wu, David A KofkeThe Journal of Chemical Physics|June 11, 2005
Rosenbluth-sampled nonequilibrium work method for calculation of free energies in molecular simulationDi Wu, David A KofkeThe Journal of Chemical Physics|September 17, 2005
Phase-space overlap measures. II. Design and implementation of staging methods for free-energy calculationsDi Wu, David A KofkeJournal of Computational Chemistry|January 8, 2015
Etomica: an object-oriented framework for molecular simulationAndrew J Schultz, David A KofkePhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|December 21, 2011
Algorithm for constant-pressure Monte Carlo simulation of crystalline solidsAndrew J Schultz, David A KofkePageof 6