Journal ArticleDOI
Phase Transition of the Lennard-Jones System. II. High-Temperature Limit
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This article is published in Physical Review A.The article was published on 1970-07-01. It has received 251 citations till now. The article focuses on the topics: Quantum phase transition & Quantum critical point.read more
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Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling
G.M. Torrie,John P. Valleau +1 more
TL;DR: In this paper, the authors describe the use of arbitrary sampling distributions chosen to facilitate the estimate of the free energy difference between a model system and some reference system, but the conventional Monte Carlo methods of obtaining such averages are inadequate for the free-energy case.
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The Lennard-Jones equation of state revisited
TL;DR: In this paper, a modified Benedict-Webb-Rubin (MBWR) equation of state for the Lennard-Jones (LJ) fluid is presented and compared with the simulation data of this work, and previously published Gibbs ensemble data.
Journal ArticleDOI
Equation of state for the Lennard-Jones fluid
TL;DR: In this article, a modified Benedict-Webb-Rubin equation has been used to derive an equation of state for the Lennard-Jones fluid that is valid over a wide range of temperatures and densities.
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Thermodynamic Properties of the Fluid and Solid Phases for Inverse Power Potentials
TL;DR: In this paper, Monte Carlo and lattice dynamics were used to determine fluid and face centered cubic solid thermodynamic properties for classical particles interacting with pairwise-additive inverse 4th, 6th, and 9th power potentials.
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A computer simulation study of the liquid–vapor coexistence curve of water
Yves Guissani,Bertrand Guillot +1 more
TL;DR: In this article, the authors evaluated the liquid-vapor coexistence curve of a model water (the extended simple point charge model, SPCE) by molecular dynamics simulation in the (N,V,E) ensemble.