articleTop 10% cited
Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling
Journal of Computational Physics · 1977 · Vol. 23(2) · pp. 187–199
G. M. Torrie✉(University of Toronto)J. P. Valleau(University of Toronto)
Phase Equilibria and ThermodynamicsAdvanced Thermodynamics and Statistical MechanicsTheoretical and Computational PhysicsUmbrella samplingMonte Carlo methodSampling (signal processing)Statistical physicsMonte Carlo method in statistical physicsImportance samplingRejection samplingMarkov chain Monte CarloHybrid Monte CarloMonte Carlo integration
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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
Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules
Physical Review · 1967 · 9,233 citations
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