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Gravitational smoothing as a global optimization strategy
Author(s) -
Whitfield T. W.,
Straub John E.
Publication year - 2002
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.10106
Subject(s) - smoothing , cluster (spacecraft) , gravitation , morse code , atom (system on chip) , gravitational potential , morse potential , scheme (mathematics) , physics , computer science , statistical physics , classical mechanics , atomic physics , mathematics , mathematical analysis , telecommunications , computer vision , programming language , embedded system
An optimization scheme for atomic cluster structures, based on exaggerating the importance of the gravitational force, is introduced. Results are presented for calculations on Lennard‐Jones clusters of 13, 38, and 55 atoms, and the 13‐atom Morse cluster. © 2002 Wiley Periodicals, Inc. J Comput Chem 11: 1100–1103, 2002