ATOMIC CLUSTERS AND NANOSCALE PARTICLES - FROM COARSE-GRAINED DYNAMICS TO OPTIMIZED ANNEALING SCHEDULES

Authors
KUNZ RE BLAUDECK P HOFFMANN KH BERRY RS
Citation
Re. Kunz et al., ATOMIC CLUSTERS AND NANOSCALE PARTICLES - FROM COARSE-GRAINED DYNAMICS TO OPTIMIZED ANNEALING SCHEDULES, The Journal of chemical physics, 108(6), 1998, pp. 2576-2582
Citations number
32
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
108
Issue
6
Year of publication
1998
Pages
2576 - 2582
Database
ISI
SICI code
0021-9606(1998)108:6<2576:ACANP->2.0.ZU;2-M
Abstract
An adaptive method is presented to optimize schedules for the simulate d annealing of clusters and nanoscale particles. The method, based on both molecular-dynamics simulations and a set of master equations, is applied to a model configuration space for which the exact optimal sch edule can also be found. The adaptive method is demonstrably suitable for optimizing larger and more realistic systems than can be treated b y an exact method, even one based on a statistical-sample master equat ion. (C) 1998 American Institute of Physics.