A new Monte Carlo method for estimating free energy and chemical potential

Computer Simulation of Liquids

S. P, K. J · Journal of Molecular Liquids · 1988 · 15.9K citations

Natural Sciences, Computer Science, Physics +12

Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling

G. M. Torrie, J. P. Valleau · Journal of Computational Physics · 1977 · 6.2K citations

Natural Sciences, Mathematics, Physics +12

Some Topics in the Theory of Fluids

B. Widom · The Journal of Chemical Physics · 1963 · 3K citations

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Efficient estimation of free energy differences from Monte Carlo data

Journal of Computational Physics · 1976 · 2.8K citations

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

G. M. Torrie, J. P. Valleau · Chemical Physics Letters · 1974 · 1.4K citations

Natural Sciences, Physics, Computational Physics +10