Entropic tempering: A method for overcoming quasiergodicity in simulation
- 20 December 2000
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review E
- Vol. 63 (1), 010902
- https://doi.org/10.1103/physreve.63.010902
Abstract
The parallel tempering, multicanonical ensemble, and multiple histogram methods are combined into a powerful technique allowing enhanced sampling of complex energy surfaces. This method is shown to improve significantly the ergodic behavior in simulations of cluster melting. Application to the finite-size effects in folding minimal off-lattice β-sheet model proteins shows that the collapse and folding transitions both involve some latent heat.Keywords
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