Entropic tempering: A method for overcoming quasiergodicity in simulation
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 finit...
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Format: | Journal article |
Language: | English |
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2001
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_version_ | 1797099787098521600 |
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author | Calvo, F Doye, J |
author_facet | Calvo, F Doye, J |
author_sort | Calvo, F |
collection | OXFORD |
description | 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. © 2000 The American Physical Society. |
first_indexed | 2024-03-07T05:28:34Z |
format | Journal article |
id | oxford-uuid:e1676d09-0390-47b1-beb0-24a6752c1a4a |
institution | University of Oxford |
language | English |
last_indexed | 2024-03-07T05:28:34Z |
publishDate | 2001 |
record_format | dspace |
spelling | oxford-uuid:e1676d09-0390-47b1-beb0-24a6752c1a4a2022-03-27T09:54:15ZEntropic tempering: A method for overcoming quasiergodicity in simulationJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:e1676d09-0390-47b1-beb0-24a6752c1a4aEnglishSymplectic Elements at Oxford2001Calvo, FDoye, JThe 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. © 2000 The American Physical Society. |
spellingShingle | Calvo, F Doye, J Entropic tempering: A method for overcoming quasiergodicity in simulation |
title | Entropic tempering: A method for overcoming quasiergodicity in simulation |
title_full | Entropic tempering: A method for overcoming quasiergodicity in simulation |
title_fullStr | Entropic tempering: A method for overcoming quasiergodicity in simulation |
title_full_unstemmed | Entropic tempering: A method for overcoming quasiergodicity in simulation |
title_short | Entropic tempering: A method for overcoming quasiergodicity in simulation |
title_sort | entropic tempering a method for overcoming quasiergodicity in simulation |
work_keys_str_mv | AT calvof entropictemperingamethodforovercomingquasiergodicityinsimulation AT doyej entropictemperingamethodforovercomingquasiergodicityinsimulation |