Density-of-states Monte Carlo method for simulation of fluids
作者： Qiliang Yan , Roland Faller , Juan José de Pablo
DOI: 10.1063/1.1463055
关键词: Quantum Monte Carlo 、 Direct simulation Monte Carlo 、 Monte Carlo molecular modeling 、 Statistical physics 、 Monte Carlo method in statistical physics 、 Monte Carlo method 、 Hybrid Monte Carlo 、 Kinetic Monte Carlo 、 Dynamic Monte Carlo method 、 Physics
摘要: A Monte Carlo method based on a density-of-states sampling is proposed for study of arbitrary statistical mechanical ensembles in continuum. random walk the two-dimensional space particle number and energy used to estimate density states system; this continuously updated as visits individual states. The validity usefulness are demonstrated by applying it simulation Lennard-Jones fluid. Results its thermodynamic properties, including vapor–liquid phase coexistence curve, shown be good agreement with high-accuracy literature data.
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