scholarly journals Electrochemistry from first-principles in the grand canonical ensemble

2021 ◽  
Vol 155 (2) ◽  
pp. 024114
Author(s):  
Arihant Bhandari ◽  
Chao Peng ◽  
Jacek Dziedzic ◽  
Lucian Anton ◽  
John R. Owen ◽  
...  
Keyword(s):  
First Principles ◽  
Canonical Ensemble ◽  
Grand Canonical Ensemble ◽  
Grand Canonical

scholarly journals Bias-dependent diffusion of a H2O molecule on metal surfaces by the first-principles method under the grand-canonical ensemble

2021 ◽  
Vol 5 (6) ◽  
Author(s):  
Satoshi Hagiwara ◽  
Chunping Hu ◽  
Satomichi Nishihara ◽  
Minoru Otani
Keyword(s):  
First Principles ◽  
Metal Surfaces ◽  
Canonical Ensemble ◽  
Grand Canonical Ensemble ◽  
Grand Canonical ◽  
First Principles Method

scholarly journals Phase diagram of brittle fracture in the semi-grand-canonical ensemble

2021 ◽  
Vol 103 (1) ◽  
Author(s):  
T. Mulla ◽  
S. Moeini ◽  
K. Ioannidou ◽  
R. J.-M. Pellenq ◽  
F.-J. Ulm
Keyword(s):  
Phase Diagram ◽  
Brittle Fracture ◽  
Canonical Ensemble ◽  
Grand Canonical Ensemble ◽  
Grand Canonical

Simulation of solids at nonzero temperatures in the grand-canonical ensemble

1994 ◽  
Vol 49 (11) ◽  
pp. 7639-7645 ◽  
Author(s):  
S. R. Phillpot
Keyword(s):  
Canonical Ensemble ◽  
Grand Canonical Ensemble ◽  
Grand Canonical

Use of the Grand Canonical Ensemble in Potential of Mean Force Calculations

1996 ◽  
Vol 100 (4) ◽  
pp. 1426-1433 ◽  
Author(s):  
H. Resat ◽  
M. Mezei ◽  
J. A. McCammon
Keyword(s):  
Canonical Ensemble ◽  
Potential Of Mean Force ◽  
Grand Canonical Ensemble ◽  
Grand Canonical

A new algorithm for molecular dynamics simulations in the grand canonical ensemble

1994 ◽  
Vol 82 (3) ◽  
pp. 439-453 ◽  
Author(s):  
Lourdes F. Vega ◽  
Katherine S. Shing ◽  
Luis F. Rull
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Canonical Ensemble ◽  
Grand Canonical Ensemble ◽  
Dynamics Simulations ◽  
Grand Canonical

The grand canonical ensemble Monte Carlo method applied to electrolyte solutions

1980 ◽  
Vol 39 (5) ◽  
pp. 1043-1054 ◽  
Author(s):  
W. van Megen ◽  
I.K. Snook
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Canonical Ensemble ◽  
Electrolyte Solutions ◽  
Grand Canonical Ensemble ◽  
Ensemble Monte Carlo ◽  
Grand Canonical

A new simulation method for the grand canonical ensemble

1992 ◽  
Vol 190 (3-4) ◽  
pp. 386-390 ◽  
Author(s):  
K.S. Shing ◽  
S.R. Azadipour
Keyword(s):  
Canonical Ensemble ◽  
Simulation Method ◽  
Grand Canonical Ensemble ◽  
Grand Canonical
Sign in / Sign up

Export Citation Format

Share Document