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Efficient estimation of free energy differences from Monte Carlo data

Journal of Computational Physics · 1976 · Vol. 22(2) · pp. 245–268

Charles H. Bennett✉(IBM Research - Thomas J. Watson Research Center)

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Phase Equilibria and Thermodynamics Advanced Chemical Physics Studies Theoretical and Computational PhysicsMonte Carlo methodSmoothnessRejection samplingSampling (signal processing)Importance samplingStatistical physicsStatisticsVariance (accounting)MathematicsMonte Carlo molecular modeling

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4.42

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References

Monte Carlo free energy estimates using non-Boltzmann sampling: Application to the sub-critical Lennard-Jones fluid

Chemical Physics Letters · 1974 · 1,405 citations

Equation of State Calculations by Fast Computing Machines

The Journal of Chemical Physics · 1953 · 36,613 citations

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