70 citations · 380 across the 25 of their papers we have counts for
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math.NA2014
Cell List Algorithms for Nonequilibrium Molecular Dynamics
Matthew Dobson, Ian Fox, Alexandra Saracino
We present two modifications of the standard cell list algorithm for nonequilibrium molecular dynamics simulations of homogeneous, linear flows. When such a flow is modeled with pe…
math.NA2014★ 68 cited
Periodic Boundary Conditions for Long-time Nonequilibrium Molecular Dynamics Simulations of Incompressible Flows
Matthew Dobson
This work presents a generalization of the Kraynik-Reinelt (KR) boundary conditions for nonequilibrium molecular dynamics simulations. In the simulation of steady, homogeneous flow…