Temperature-and-density-scaling Monte Carlo: methodology and the canonical thermodynamics of Lennard-Jonesium

DOI10.1080/08927020500035937MaRDI QIDQ4680765zbMATH OpenOpenAlexFDO

Authors John P. Valleau

Publication date 7 June 2005

Published in Molecular Simulation (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1080/08927020500035937

zbMATH Keywords

coexistenceequation of statecanonical ensembleLennard-JonesMonte Carlo runthermodynamic scaling

Mathematics Subject Classification ID

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Cites work

• scientific article; zbMATH DE number 3328662 (Why is no real title available?)
• A Thermodynamic-scaling Study of Gibbs-ensemble Monte Carlo
• Temperature-and-density-scaling Monte Carlo: isothermal–isobaric thermodynamics of Lennard-Jonesium

Cited in

(8)

• Quantum thermodynamics of \((\text{H}_{2})_{x}\@ \text{C}_{60}\) \([x=1--2]\): a path integral Monte Carlo study
• Comparison between molecular dynamics and Monte Carlo descriptions of solid-liquid phase-transition of Lennard-Jones fluids
• Accelerating Monte Carlo molecular simulations by reweighting and reconstructing Markov chains: extrapolation of canonical ensemble averages and second derivatives to different temperature and density conditions
• Monte Carlo simulations on the thermodynamic properties of high-density gases
• Temperature-and-density-scaling Monte Carlo: isothermal–isobaric thermodynamics of Lennard-Jonesium
• Liquid–Gas Phase Transitions Studied by Multibaric–Multithermal Monte Carlo Simulations
• Monte Carlo simulation of thermodynamic systems with cluster formation under different boundary conditions
• A Thermodynamic-scaling Study of Gibbs-ensemble Monte Carlo

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