Auflistung Nach Schlagwort "argon"
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Bayesian uncertainty quantification and propagation in molecular dynamics simulations: A high performance computing framework
(2012)We present a Bayesian probabilistic framework for quantifying and propagating the uncertainties in the parameters of force fields employed in molecular dynamics (MD) simulations. We propose a highly parallel implementation ... -
Effects of wall roughness on flow in nanochannels
(2009)Nonequilibrium molecular dynamics simulation is applied to investigate the effect of periodic wall roughness on the flow of liquid argon through krypton nanochannels. The effect of the length of a rectangular protrusion ...