|
Entropic Tempering: a method for overcoming quasi-ergodicityFlorent Calvo and Jonathan P. K. DoyePhys. Rev. E 63, 010902(R) (2001)AbstractThe parallel tempering, multicanonical ensemble, and multiple histogram methods are combined into a powerful technique allowing enhanced sampling of complex energy surfaces. This new method is shown to improve significantly the ergodic behaviour in simulations of cluster melting. Application to the finite-size effects in folding minimal off-lattice beta-sheet model proteins shows that the collapse and folding transition both involve some latent heat.The full paper is available from Physical Review E Online |