Projects per year
Abstract / Description of output
A wide family of methods is described for sampling in the canonical ensemble. The Bulgac-Kusnezov method is generalized to include a more complicated coupling structure and stochastic perturbations. It is shown that a controlled fluctuation of the potential surface or force field in a molecular model may be used as part of a sampling method (instead of the more standard friction or driving term). Numerical experiments demonstrate that the family includes methods that are effective for recovering canonical averages.
FingerprintDive into the research topics of 'Generalized Bulgac-Kusnezov Methods for Sampling of the Gibbs-Boltzmann Measure'. Together they form a unique fingerprint.
- 1 Finished
1/08/09 → 31/07/14