Monte Carlo study of a phase‐separating liquid mixture by umbrella sampling

Keywords

Monte Carlo method, Umbrella sampling, Metastability, Sampling (signal processing), Statistical physics

References

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• Modeling the self-assembly of functionalized fullerenes on solid surfaces using Monte Carlo simulationsGregory J. Bubnis — 2010
• Computer simulation results for thermodynamic excess properties in fluid mixturesKomal Shukla, J. M. Haile — 1987
• How Molecular Conformational Changes Affect Changes in Free Energy.Mazen Ahmad, Volkhard Helms, Thomas Lengauer — 2015
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• Molecular dynamics studies of Lennard-Jones liquid mixtures. V. Local composition in several kinds of equimolar mixtures with different combining ruleKouichiro Nakanishi, Kazuo Toukubo — 1979
• The Role of Computer Simulation in Studying Fluid Phase EquilibriaKeith E. Gubbins — 1989
• Density-scaling: a new Monte Carlo technique in statistical mechanicsJ. P. Valleau — 1991
• Revealing the favorable dissociation pathway of type II kinase inhibitors via enhanced sampling simulations and two-end-state calculationsHuiyong Sun, Sheng Tian, Shunye Zhou — 2015
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• The effect of the unlike-pair attractive potential in the phase separation of a binary square well mixtureTakao Ichimura, Akira Ueda — 1981
• A density of states transformation Monte Carlo method: Thermodynamics of the Lennard‐Jones fluidM. S. Shaw — 1988
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