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The Journal of Chemical Physics|July 9, 2021
Shadow Hamiltonian in classical NVE molecular dynamics simulations involving Coulomb interactionsK D Hammonds, D M HeyesThe Journal of Chemical Physics|January 7, 2026
Calculating Coulomb interactions in molecular dynamics simulations: The Evjen method revisitedD M Heyes, K D HammondsThe Journal of Chemical Physics|August 20, 2022
Optimization of the Ewald method for calculating Coulomb interactions in molecular simulationsK D Hammonds, D M HeyesThe Journal of Chemical Physics|January 17, 2020
Shadow Hamiltonian in classical NVE molecular dynamics simulations: A path to long time stabilityK D Hammonds, D M HeyesThe Journal of Chemical Physics|June 24, 2024
Unification of Ewald and shifted force methods to calculate Coulomb interactions in molecular simulationsK D Hammonds, D M HeyesThe Journal of Chemical Physics|May 17, 2019
Translational and rotational diffusion of rod shaped molecules by molecular dynamics simulationsD M HeyesThe Journal of Chemical Physics|February 16, 2010
Thermodynamic stability of soft-core Lennard-Jones fluids and their mixturesD M HeyesThe Journal of Chemical Physics|March 27, 2007
(2n,n) potential and sticky-sphere fluidsG Rickayzen, D M HeyesThe Journal of Chemical Physics|December 24, 2008
The autocorrelation functions of a fluid of molecules interacting through steep attractive potentialsG Rickayzen, D M HeyesThe Journal of Chemical Physics|October 16, 2007
A configurational temperature for molecules with hard-core or discontinuous interactionsG Rickayzen, D M HeyesPageof 8