2 papers
math.AP2010
Enhanced sampling of multidimensional free-energy landscapes using adaptive biasing forces
Chris Chipot, Tony Lelièvre
We propose an adaptive biasing algorithm aimed at enhancing the sampling of multimodal measures by Langevin dynamics. The underlying idea consists in generalizing the standard adap…
math.NA2010
Reconciling alternate methods for the determination of charge distributions: A probabilistic approach to high-dimensional least-squares approximations
Nicolas Champagnat, Christophe Chipot, Erwan Faou
We propose extensions and improvements of the statistical analysis of distributed multipoles (SADM) algorithm put forth by Chipot et al. in [6] for the derivation of distributed at…