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Langmuir : the ACS Journal of Surfaces and Colloids|April 20, 2005
Molecular simulation study of the effect of pressure on the vapor-liquid interface of the square-well fluidJayant K Singh, David A KofkeThe Journal of Chemical Physics|November 13, 2004
Molecular simulation study of effect of molecular association on vapor-liquid interfacial propertiesJayant K Singh, David A KofkePhysical Review Letters|July 13, 2004
Mayer sampling: calculation of cluster integrals using free-energy perturbation methodsJayant K Singh, David A KofkeThe Journal of Physical Chemistry. B|September 14, 2007
Higher-order virial coefficients of water modelsKenneth M Benjamin, Jayant K Singh, Andrew J Schultz, et al.The 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 KofkePageof 13