Structures of large Morse clusters

1999 ◽  
Vol 110 (15) ◽  
pp. 7412-7420 ◽  
Author(s):  
B. M. Smirnov ◽  
A. Yu. Strizhev ◽  
R. S. Berry
Keyword(s):  
Morse Clusters

scholarly journals Structural relaxation in Morse clusters: Energy landscapes

1999 ◽  
Vol 110 (1) ◽  
pp. 328-334 ◽  
Author(s):  
Mark A. Miller ◽  
Jonathan P. K. Doye ◽  
David J. Wales
Keyword(s):  
Structural Relaxation ◽  
Energy Landscapes ◽  
Morse Clusters

PSO-CGO

2014 ◽  
pp. 1-21
Author(s):  
Nuno Lourenço ◽  
Francisco Baptista Pereira
Keyword(s):  
Distance Measure ◽  
Geometry Optimization ◽  
Atomic Clusters ◽  
Population Diversity ◽  
Particle Swarm Algorithm ◽  
Global Optima ◽  
Cluster Geometry ◽  
Structural Distance ◽  
Morse Clusters ◽  
Cluster Geometry Optimization

In this paper the authors present PSO-CGO, a novel particle swarm algorithm for cluster geometry optimization. The proposed approach combines a steady-state strategy to update solutions with a structural distance measure that helps to maintain population diversity. Also, it adopts a novel rule to update particles, which applies velocity only to a subset of the variables and is therefore able to promote limited modifications in the structure of atomic clusters. Results are promising, as PSO-CGO is able to discover all putative global optima for short-ranged Morse clusters between 30 and 50 atoms. A comprehensive analysis is presented and reveals that the proposed components are essential to enhance the search effectiveness of the PSO.

Melting of 55-atom Morse clusters

2003 ◽  
Vol 118 (23) ◽  
pp. 10671-10682 ◽  
Author(s):  
Pooja Shah ◽  
Sharani Roy ◽  
Charusita Chakravarty
Keyword(s):  
Morse Clusters

scholarly journals Global Optimization of Morse Clusters by Potential Energy Transformations

2004 ◽  
Vol 16 (4) ◽  
pp. 371-379 ◽  
Author(s):  
Jonathan P. K. Doye ◽  
Robert H. Leary ◽  
Marco Locatelli ◽  
Fabio Schoen
Keyword(s):  
Global Optimization ◽  
Potential Energy ◽  
Morse Clusters

A genetic algorithm for the structural optimization of Morse clusters

2000 ◽  
Vol 104 (2) ◽  
pp. 123-130 ◽  
Author(s):  
Chris Roberts ◽  
Roy L. Johnston ◽  
Nicholas T. Wilson
Keyword(s):  
Genetic Algorithm ◽  
Structural Optimization ◽  
Morse Clusters
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