250 citations · 626 across the 10 of their papers we have counts for
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cond-mat.stat-mech2013★ 127 cited
The computation of averages from equilibrium and nonequilibrium Langevin molecular dynamics
Benedict Leimkuhler, Charles Matthews, Gabriel Stoltz
We consider numerical methods for thermodynamic sampling, i.e. computing sequences of points distributed according to the Gibbs-Boltzmann distribution, using Langevin dynamics and…
physics.comp-ph2013★ 250 cited
Robust and efficient configurational molecular sampling via Langevin Dynamics
Benedict Leimkuhler, Charles Matthews
A wide variety of numerical methods are evaluated and compared for solving the stochastic differential equations encountered in molecular dynamics. The methods are based on the app…