468 citations · 8.1k across the 126 of their papers we have counts for
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Simulating rare events in equilibrium or non-equilibrium stochastic systems
Rosalind J. Allen, Daan Frenkel, Pieter Rein ten Wolde
We present three algorithms for calculating rate constants and sampling transition paths for rare events in simulations with stochastic dynamics. The methods do not require a prior…
Lattice-Boltzmmann simulations of the sedimentation of charged disks
Fabrizio Capuani, Ignacio Pagonabarraga, Daan Frenkel
We report a series of Lattice-Boltzmann simulations of the sedimentation velocity of charged disks. In these simulations, we explicitly account for the hydrodynamic and electrostat…
Virtual-move Parallel Tempering
Ivan Coluzza Daan Frenkel
We report a novel Monte Carlo scheme that greatly enhances the power of parallel-tempering simulations. In this method, we boost the accumulation of statistical averages by includi…