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Non-Boltzmann sampling

Torrie, G.M., Valleau, J.P. Monte Carlo free energy estimates using non-Boltzmann sampling application to the subcritical Lennard-Jones fluid. Chera. Phys. Lett. 28 (1974) 578-581. [Pg.29]

G. M. Torrie and J. P. Valleau, Chem. Phys. Lett., 28, 578 (1974).Monte Carlo Free Energy Estimates Using Non-Boltzmann Sampling Application to the Sub-Critical Lennard-Jones Fluid. [Pg.290]

Estimates Using Non-Boltzmann Sampling Application to the Sub-critical Lennard-Jones Fluid. /... [Pg.136]

Fig. 11. Standard Gibbs energy profile (solid line) for an ion transfer across the sharp interface calculated through a non-Boltzmann sampling using a total of 1.6 ns molecular dynamics trajectories. The crosses denote half of the average ion-solvent electrostatic energy. (After [128]). Fig. 11. Standard Gibbs energy profile (solid line) for an ion transfer across the sharp interface calculated through a non-Boltzmann sampling using a total of 1.6 ns molecular dynamics trajectories. The crosses denote half of the average ion-solvent electrostatic energy. (After [128]).
Torrie GM, Valleau JP (1974) Monte Carlo free eneigy estimates using non-Boltzmann sampling Application to the sub-critical Lennaid-Jones fluid. Chem Phys Lett 28(4) 578-581. doi 10.1016/0009-2614(74)80109-0... [Pg.444]

See other pages where Non-Boltzmann sampling is mentioned: [Pg.3]    [Pg.10]    [Pg.84]    [Pg.87]    [Pg.88]    [Pg.263]    [Pg.269]    [Pg.280]    [Pg.297]    [Pg.142]    [Pg.100]    [Pg.4]    [Pg.725]    [Pg.141]    [Pg.175]    [Pg.192]   
See also in sourсe #XX -- [ Pg.100 ]

See also in sourсe #XX -- [ Pg.100 ]



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