Some remarks on the reverse Monte Carlo method

1993 ◽  
Vol 191 (3-4) ◽  
pp. 217-219 ◽  
Author(s):  
W. van der Lugt ◽  
M. Winnink
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Reverse Monte Carlo ◽  
Reverse Monte Carlo Method

Molecular Modeling of Porous Carbons Using the Hybrid Reverse Monte Carlo Method

Langmuir ◽  
2006 ◽  
Vol 22 (24) ◽  
pp. 9942-9948 ◽  
Author(s):  
Surendra K. Jain ◽  
Roland J.-M. Pellenq ◽  
Jorge P. Pikunic ◽  
Keith E. Gubbins
Keyword(s):  
Monte Carlo ◽  
Molecular Modeling ◽  
Monte Carlo Method ◽  
Reverse Monte Carlo ◽  
Porous Carbons ◽  
Reverse Monte Carlo Method

Structural Modeling of Porous Carbons:  Constrained Reverse Monte Carlo Method

Langmuir ◽  
2003 ◽  
Vol 19 (20) ◽  
pp. 8565-8582 ◽  
Author(s):  
Jorge Pikunic ◽  
Christian Clinard ◽  
Nathalie Cohaut ◽  
Keith E. Gubbins ◽  
Jean-Michel Guet ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Structural Modeling ◽  
Reverse Monte Carlo ◽  
Porous Carbons ◽  
Reverse Monte Carlo Method

STRUCTURE SIMULATIONS OF LIQUID S AND LIQUID Te BY UNCONSTRAINED REVERSE MONTE CARLO METHOD

1996 ◽  
Vol 10 (25) ◽  
pp. 1267-1276 ◽  
Author(s):  
M. ANDRECUT
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Three Dimensional ◽  
Distribution Model ◽  
Dimensional Structure ◽  
Angle Distribution ◽  
Structural Constraints ◽  
Reverse Monte Carlo ◽  
Three Body ◽  
Reverse Monte Carlo Method

A spatial atomic distribution model of liquid S (L-S) and liquid Te (L-Te) was generated by using the experimental diffraction data and reverse Monte Carlo method without applying structural constraints. The obtained models have been analysed in terms of near-atomic-neighbour, bond-angle distribution, three-body correlations and chain statistics. The analysis of the generated models has shown that the three-dimensional structure of the investigated liquids can be well described as a network of short chains.

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