18.8k citations · 23.3k across the 9 of their papers we have counts for
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Conjugate gradient heatbath for ill-conditioned actions
Michele Ceriotti, Giovanni Bussi, Michele Parrinello
We present a method for performing sampling from a Boltzmann distribution of an ill-conditioned quadratic action. This method is based on heatbath thermalization along a set of con…
Stochastic thermostats: comparison of local and global schemes
Giovanni Bussi, Michele Parrinello
We show that a recently introduced stochastic thermostat [J. Chem. Phys. 126 (2007) 014101] can be considered as a global version of the Langevin thermostat. We compare the global…
Accurate sampling using Langevin dynamics
Giovanni Bussi, Michele Parrinello
We show how to derive a simple integrator for the Langevin equation and illustrate how it is possible to check the accuracy of the obtained distribution on the fly, using the conce…