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physics.comp-ph2018★ 20 cited
Concurrent coupling of atomistic simulation and mesoscopic hydrodynamics for flows over soft multi-functional surfaces
Yuying Wang, Zhen Li, Junbo Xu +2
We develop an efficient parallel multiscale method that bridges the atomistic and mesoscale regimes, from nanometer to micron and beyond, via concurrent coupling of atomistic simul…
physics.comp-ph2010
Molecular Dynamics Simulation of Macromolecules Using Graphics Processing Unit
Ji Xu, Ying Ren, Wei Ge +3
Molecular dynamics (MD) simulation is a powerful computational tool to study the behavior of macromolecular systems. But many simulations of this field are limited in spatial or te…