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• W2090882998 abstract "A simple method is introduced to achieve efficient random walking in the energy space in molecular dynamics simulations which thus enhances the sampling over a large energy range. The approach is closely related to multicanonical and replica exchange simulation methods in that it allows configurations of the system to be sampled in a wide energy range by making use of Boltzmann distribution functions at multiple temperatures. A biased potential is quickly generated using this method and is then used in accelerated molecular dynamics simulations." @default.
• W2090882998 created "2016-06-24" @default.
• W2090882998 creator A5051732177 @default.
• W2090882998 date "2008-02-11" @default.
• W2090882998 modified "2023-10-16" @default.
• W2090882998 title "An integrate-over-temperature approach for enhanced sampling" @default.
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• W2090882998 doi "https://doi.org/10.1063/1.2825614" @default.
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