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...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
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2001
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| _version_ | 1797085233398415360 |
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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 | 2024-03-07T02:06:03Z |
| format | Journal article |
| id | oxford-uuid:9f075f29-120c-4bc9-999d-103ebc5f886e |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T02:06:03Z |
| publishDate | 2001 |
| record_format | dspace |
| spelling | oxford-uuid:9f075f29-120c-4bc9-999d-103ebc5f886e2022-03-27T00:54:19ZEntropic tempering: A method for overcoming quasiergodicity in simulationJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:9f075f29-120c-4bc9-999d-103ebc5f886eEnglishSymplectic 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 |