Adaptive multi-stage integrators for optimal energy conservation in molecular simulations (Q1674504)
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scientific article; zbMATH DE number 6798188
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| English | Adaptive multi-stage integrators for optimal energy conservation in molecular simulations |
scientific article; zbMATH DE number 6798188 |
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Adaptive multi-stage integrators for optimal energy conservation in molecular simulations (English)
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25 October 2017
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molecular dynamics
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hybrid Monte Carlo
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multi-stage integrators
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velocity Verlet
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adaptive integration
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GROMACS
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0.7340800166130066
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0.7100600600242615
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0.7065641283988953
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