Density of States Monte Carlo Method for Simulation of Fluids
Qiliang Yan, Roland Faller, Juan J. de Pablo
Abstract
A Monte Carlo method based on a density-of-states sampling is proposed for study of arbitrary statistical mechanical ensembles in a continuum. A random walk in the two-dimensional space of particle number and energy is used to estimate the density of states of the system; this density of states is continuously updated as the random walk visits individual states. The validity and usefulness of the method are demonstrated by applying it to the simulation of a Lennard-Jones fluid. Results for its thermodynamic properties, including the vapor-liquid phase coexistence curve, are shown to be in good agreement with high-accuracy literature data.
Create a lesson
Related papers
Competing routes to spontaneous flow in confined active nematics
Rahil N. Valani, Vedad Dzanic, Sumesh P. Thampi et al.
Scaling and Condensation of Dry Active Matter Around Circular Obstacles
Felipe P. S. Júnior, F. Q. Potiguar, Jorge L. C. Domingos et al.
Active Hydrodynamics Couples Polymer Organization, Shape Fluctuations, and Motility in Deformable Droplets
Ritu Raj, P. B. Sunil Kumar
Inferring interactions between active particles using harmonic traps
Arnaud Compagnie, Joscha Mecke, Ivo Buttinoni et al.
Spontaneous filament formation and network self-assembly via active phase separation
Elena Lucas, Varun Venkatesh, Amin Doostmohammadi
Sensitivity of Nucleation Thermodynamics and Kinetics to the Treatment of Long-Range Interactions
Fernanda Sulantay Vargas, Kimia Sinaeian, Amir Haji-Akbari