820 citations · 12k across the 115 of their papers we have counts for
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physics.comp-ph2012★ 254 cited
Colored-noise thermostats à la carte
Michele Ceriotti, Giovanni Bussi, Michele Parrinello
Recently, we have shown how a colored-noise Langevin equation can be used in the context of molecular dynamics as a tool to obtain dynamical trajectories whose properties are tailo…
physics.comp-ph2012★ 193 cited
Accelerating the convergence of path integral dynamics with a generalized Langevin equation
Michele Ceriotti, David E. Manolopoulos, Michele Parrinello
The quantum nature of nuclei plays an important role in the accurate modelling of light atoms such as hydrogen, but it is often neglected in simulations due to the high computation…