126 citations · 877 across the 41 of their papers we have counts for
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physics.comp-ph2007
Parallel multiscale modeling of biopolymer dynamics with hydrodynamic correlations
Maria Fyta, Jayanta Sircar, Efthimios Kaxiras +3
We employ a multiscale approach to model the translocation of biopolymers through nanometer size pores. Our computational scheme combines microscopic Molecular Dynamics (MD) with a…
physics.comp-ph2007★ 116 cited
Design of quasi-symplectic propagators for Langevin dynamics
Simone Melchionna
A vector field splitting approach is discussed for the systematic derivation of numerical propagators for deterministic dynamics. Based on the formalism, a class of numerical integ…