𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Monte Carlo simulation of supercritical solutions in the grand canonical ensemble

✍ Scribed by V.M. Shah; H.D. Cochran; P.R. Bienkowski


Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
406 KB
Volume
4
Category
Article
ISSN
0896-8446

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Fourier path integral Monte Carlo in the
✍ Gustavo E. LΓ³pez πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 191 KB

The Fourier path integral formalism was implemented in the grand canonical ensemble and applied to a two-dimensional Lennard-Jones fluid, which is used to model a quantum monolayer. The method was employed to obtain the variation in the density of the monolayer as a function of chemical activity at

Taylor-Expansion Monte Carlo Simulations
✍ Martin Schoen πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 749 KB

In this article the Taylor-expansion method is introduced by which Monte Carlo ( \(\mathrm{MC}\) ) simulations in the canonical ensemble can be speeded up significantly. Substantial gains in computational speed of \(20-40 \%\) over conventional implementations of the \(M C\) technique are obtained o

Molecular dynamics simulation in the gra
✍ Hossein Eslami; Florian MΓΌller-Plathe πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 264 KB

## Abstract An extended system Hamiltonian is proposed to perform molecular dynamics (MD) simulation in the grand canonical ensemble. The Hamiltonian is similar to the one proposed by Lynch and Pettitt (Lynch and Pettitt, J Chem Phys 1997, 107, 8594), which consists of the kinetic and potential ene