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• W2890375635 startingPage "66" @default.
• W2890375635 abstract "Selection of temperature sequence and bias factor is a critical step for the preparation of Parallel Tempering simulations in a Well-Tempered Ensemble (PT-WTE). We provide a scheme in this study to generate the temperature sequence and the corresponding bias factor optimally. The number of replicas for a complete coverage of a specific temperature range is adjustable in this scheme, while keeping the average acceptance probability (AAP) between neighboring replica-pairs unchanged. Two series of PT-WTE simulations were tested with the number of replicas as 16 and 8 respectively. This work leads to a better understanding and application of PT-WTE simulations." @default.
• W2890375635 created "2018-09-27" @default.
• W2890375635 creator A5023363049 @default.
• W2890375635 creator A5071286986 @default.
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• W2890375635 date "2018-11-01" @default.
• W2890375635 modified "2023-09-26" @default.
• W2890375635 title "Optimization of replica exchange temperature ladder under the well-tempered ensemble" @default.
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• W2890375635 doi "https://doi.org/10.1016/j.cplett.2018.09.036" @default.
• W2890375635 hasPublicationYear "2018" @default.
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