scholarly journals Reaction Ensemble Monte Carlo Simulations of CO2 Absorption in the Reactive Ionic Liquid Triethyl(octyl)phosphonium 2-Cyanopyrrolide

2018 ◽  
Vol 9 (18) ◽  
pp. 5213-5218 ◽  
Author(s):  
Ryan Gotchy Mullen ◽  
Steven A. Corcelli ◽  
Edward J. Maginn
Keyword(s):  
Monte Carlo ◽  
Ionic Liquid ◽  
Monte Carlo Simulations ◽  
Co2 Absorption ◽  
Ensemble Monte Carlo

scholarly journals Optimized ensemble Monte Carlo simulations of dense Lennard-Jones fluids

2005 ◽  
Vol 123 (20) ◽  
pp. 204501 ◽  
Author(s):  
Simon Trebst ◽  
Emanuel Gull ◽  
Matthias Troyer
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Ensemble Monte Carlo ◽  
Lennard Jones

Gibbs-ensemble Monte Carlo simulation of H2–H2O mixtures

2021 ◽  
Author(s):  
Armin Bergermann ◽  
Martin French ◽  
Ronald Redmer
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Giant Planets ◽  
Gibbs Ensemble ◽  
Miscibility Gap ◽  
Ensemble Monte Carlo ◽  
Ensemble Monte Carlo Simulation ◽  
Gibbs Ensemble Monte Carlo

The miscibility gap in H2–H2O mixtures is investigated by conducting Gibbs-ensemble Monte Carlo simulations. Our results indicate that H2–H2O immiscibility regions may have a significant impact on the structure and evolution of ice giant planets.

Probing Additive Loading in the Lamellar Phase of a Nonionic Surfactant: Gibbs Ensemble Monte Carlo Simulations Using the SDK Force Field

Langmuir ◽  
2018 ◽  
Vol 34 (28) ◽  
pp. 8245-8254 ◽  
Author(s):  
Mona S. Minkara ◽  
Rebecca K. Lindsey ◽  
Robert H. Hembree ◽  
Connor L. Venteicher ◽  
Sumanth N. Jamadagni ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Force Field ◽  
Nonionic Surfactant ◽  
Lamellar Phase ◽  
Gibbs Ensemble ◽  
Ensemble Monte Carlo ◽  
Gibbs Ensemble Monte Carlo

scholarly journals Ab initio Gibbs ensemble Monte Carlo simulations of the liquid–vapor equilibrium and the critical point of sodium

2021 ◽  
Vol 23 (1) ◽  
pp. 311-319
Author(s):  
Zhi Li ◽  
Christophe Winisdoerffer ◽  
François Soubiran ◽  
Razvan Caracas
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Ab Initio ◽  
Electronic States ◽  
Gibbs Ensemble ◽  
Metallic System ◽  
Excited Electronic States ◽  
Ensemble Monte Carlo ◽  
Vapor Equilibrium ◽  
Gibbs Ensemble Monte Carlo

We extend the application of the ab initio Gibbs ensemble method to the metallic system by including the contribution of excited electronic states.

scholarly journals A thorough study of Si nanowire FETs with 3D Multi-Subband Ensemble Monte Carlo simulations

2019 ◽  
Vol 159 ◽  
pp. 19-25
Author(s):  
L. Donetti ◽  
C. Sampedro ◽  
F.G. Ruiz ◽  
A. Godoy ◽  
F. Gamiz
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Si Nanowire ◽  
Ensemble Monte Carlo

Crystallization of liquids in the vicinity of a solid

1981 ◽  
Vol 34 (1) ◽  
pp. 1
Author(s):  
JE Lane ◽  
TH Spurling
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Solid Phase ◽  
Adsorbed Layer ◽  
Liquid Interface ◽  
Spherically Symmetric ◽  
Present Evidence ◽  
Ensemble Monte Carlo ◽  
Solid Liquid Interface ◽  
Solid Liquid

We present evidence, gained from grand ensemble Monte Carlo simulations of the solid/liquid interface, that an adsorbed layer of spherically symmetric liquid particles can have a crystal-like structure even if the solid phase is structureless.

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