Temperature–energy-space sampling molecular dynamics: deterministic and single-replica method utilizing continuous temperature system (Q5870646)

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scientific article; zbMATH DE number 7644745
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Temperature–energy-space sampling molecular dynamics: deterministic and single-replica method utilizing continuous temperature system
scientific article; zbMATH DE number 7644745

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    Temperature–energy-space sampling molecular dynamics: deterministic and single-replica method utilizing continuous temperature system (English)
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    23 January 2023
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    molecular dynamics
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    coupled Nosé-Hoover equation
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    enhanced sampling
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    temperature system
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    invariant measure
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