An Efficient Method of Reweighting and Reconstructing Monte Carlo Molecular Simulation Data for Extrapolation to Different Temperature and Density Conditions
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[1] Kenji Kiyohara,et al. Phase coexistence properties of polarizable Stockmayer fluids , 1996, physics/9610022.
[2] G. Torrie,et al. Monte Carlo study of a phase‐separating liquid mixture by umbrella sampling , 1977 .
[3] N. Metropolis,et al. Equation of State Calculations by Fast Computing Machines , 1953, Resonance.
[4] J. P. Valleau,et al. Temperature-and-density-scaling Monte Carlo: isothermal–isobaric thermodynamics of Lennard-Jonesium , 2005 .
[5] Robert H. Swendsen,et al. Erratum: ``New Monte Carlo technique for studying phase transitions'' [Phys. Rev. Lett. 61, 2635 (1988)] , 1989 .
[6] Kenji Kiyohara. Thermodynamic scaling Gibbs ensemble Monte Carlo: a new method for determination of phase coexistence properties of fluids , 1996 .
[7] S. M. Ghazi,et al. Thermodynamic properties of Ga27Si3 cluster using density functional molecular dynamics. , 2012, The journal of physical chemistry. A.
[8] J. P. Valleau,et al. Density-scaling: a new Monte Carlo technique in statistical mechanics , 1991 .
[9] Athanassios Z. Panagiotopoulos,et al. Phase equilibria of the modified Buckingham exponential-6 potential from Hamiltonian scaling grand canonical Monte Carlo , 1998 .
[10] Georg Menzl,et al. Phase transition and interpore correlations of water in nanopore membranes. , 2012, Physical review letters.
[11] G. Torrie,et al. Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling , 1977 .
[12] J. Pablo,et al. Comparison of histogram reweighting techniques for a flexible water model , 1998 .
[13] J. P. Valleau,et al. Density‐scaling Monte Carlo study of subcritical Lennard‐Jonesium , 1993 .
[14] Alan M. Ferrenberg,et al. New Monte Carlo technique for studying phase transitions. , 1988, Physical review letters.
[15] J. P. Valleau,et al. The Coulombic phase transition : density-scaling Monte Carlo , 1991 .
[16] J. P. Valleau,et al. Temperature-and-density-scaling Monte Carlo: methodology and the canonical thermodynamics of Lennard-Jonesium , 2005 .