Algorithms for global minimum search of atomic - molecular clusters of extremely large dimensions

2018 ◽  
Author(s):  
Anton Sergeyevich Anikin ◽  
Alexander Yurievich Gornov ◽  
Pavel Sergeevich Sorokovikov
Keyword(s):  
Global Minimum ◽  
Molecular Clusters ◽  
Global Minimum Search

scholarly journals Parameter Extraction for Equivalent Circuit Model of RF Devices Based on a Hybrid Optimization Method

Electronics ◽  
2019 ◽  
Vol 8 (10) ◽  
pp. 1133 ◽  
Author(s):  
Zhimin Guan ◽  
Peng Zhao ◽  
Qizhong Lao ◽  
Xianbing Wang ◽  
Gaofeng Wang
Keyword(s):  
Equivalent Circuit ◽  
Global Minimum ◽  
Extraction Procedure ◽  
Equivalent Circuit Model ◽  
Optimization Method ◽  
Parameter Extraction ◽  
Circuit Model ◽  
Spiral Inductor ◽  
Rf Devices ◽  
Global Minimum Search

One major difficulty of parameter extraction for an equivalent circuit lies in applying an optimization algorithm to efficiently approach the global minimum. Traditional genetic algorithm (GA) is able to find the global minimum but it has very low convergence rate. On the other hand, direct search method may be easily trapped in local minima. In this work, an improved parameter extraction method which is capable of effectively performing the global minimum search is proposed. This method combines GA and Powell’s method to efficiently determine circuit elements of an equivalent circuit model. A spiral inductor and an interdigital capacitor are used as design examples to illustrate the extraction procedure and validate the proposed hybrid method.

AUTOMATON: A Program That Combines a Probabilistic Cellular Automata and a Genetic Algorithm for Global Minimum Search of Clusters and Molecules

2018 ◽  
Vol 15 (2) ◽  
pp. 1463-1475 ◽  
Author(s):  
Osvaldo Yañez ◽  
Rodrigo Báez-Grez ◽  
Diego Inostroza ◽  
Walter A. Rabanal-León ◽  
Ricardo Pino-Rios ◽  
...  
Keyword(s):  
Genetic Algorithm ◽  
Cellular Automata ◽  
Global Minimum ◽  
Probabilistic Cellular Automata ◽  
Global Minimum Search

scholarly journals Global minimum search via annealing: Nanoscale gold clusters

2015 ◽  
Vol 622 ◽  
pp. 75-79 ◽  
Author(s):  
Nadezhda A. Andreeva ◽  
Vitaly V. Chaban
Keyword(s):  
Global Minimum ◽  
Gold Clusters ◽  
Global Minimum Search

scholarly journals Predicting Bilayer B50, B52, B56, And B58: Structural Evolution In Bilayer B48–B72 Clusters

2021 ◽  
Author(s):  
Qiao-Qiao Yan ◽  
Ling Pei ◽  
Si-Dian Li
Keyword(s):  
Density Functional ◽  
Global Minimum ◽  
Size Range ◽  
Structural Evolution ◽  
Density Functional Theory Calculations ◽  
Structural Diversity ◽  
Hexagonal Prism ◽  
Functional Theory ◽  
Stable Species ◽  
Global Minimum Search

Abstract The successive experimental observations of planar, cage-like, seashell-like, and bilayer Bn–/0 clusters in the size range between n = 3–48 well demonstrate the structural diversity and rich chemistry of boron nanoclusters. Based on extensive global minimum search and density functional theory calculations, we predict herein the bilayer C1 B50 (I), C2h B52 (II), C1 B56 (IV), and C2v B58 (V) as the global minima of the systems to fill in the missing gap in the bilayer B2n series between B48–B72. These highly stable species all contain a B38 bilayer hexagonal prism at the center, with 2, 2, 3, and 3 effective interlayer B-B σ-bonds formed between inward-buckled atoms on the top and bottom layers, respectively. Our bilayer C1 B50 (I) and C1 B56 (IV) prove to be obviously more stable than the previously reported monolayer planar C2v B50 and C2v B56 with two adjacent B6 hexagonal holes. Detailed bonding analyses indicate that these bilayer clusters follow the universal bonding pattern of σ + π double delocalization, making them three-dimensionally aromatic in nature. The bilayer B2n species in the size range between B48–B72 evolve gradually on the waist around the B38 or elongated B46 bilayer hexagonal prism at the center.

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