title: Optimizing replica exchange moves for molecular dynamics.
abstract: We sketch the statistical physics framework of the replica exchange technique when applied to molecular dynamics simulations. In particular, we draw attention to generalized move sets that allow a variety of optimizations as well as new applications of the method.
authors.affiliation: John-von-Neumann Institute for Computing, Forschungszentrum Jülich, D-52425 Jülich, Germany. wnadler@mtu.edu
authors.forename: Walter
authors.initials: W
authors.lastname: Nadler
authors.forename: Ulrich H E
authors.initials: UH
authors.lastname: Hansmann