Computation of free energy differences through nonequilibrium stochastic dynamics: The reaction coordinate case (Q876022)
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scientific article; zbMATH DE number 5143622
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| English | Computation of free energy differences through nonequilibrium stochastic dynamics: The reaction coordinate case |
scientific article; zbMATH DE number 5143622 |
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Computation of free energy differences through nonequilibrium stochastic dynamics: The reaction coordinate case (English)
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16 April 2007
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free energy
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mean force
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constrained dynamics
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sampling techniques
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Jarzynski equality
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Feynman-Kac formula
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0.7447344064712524
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0.7419296503067017
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0.7262377142906189
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0.7257226705551147
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