Hyper molecular dynamics with a local bias potential

Citation
Xg. Gong et Jw. Wilkins, Hyper molecular dynamics with a local bias potential, PHYS REV B, 59(1), 1999, pp. 54-57
Citations number
6
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B-CONDENSED MATTER
ISSN journal
0163-1829 → ACNP
Volume
59
Issue
1
Year of publication
1999
Pages
54 - 57
Database
ISI
SICI code
0163-1829(19990101)59:1<54:HMDWAL>2.0.ZU;2-P
Abstract
We propose a local bias potential for the hyper molecular dynamics requirin g no preknowledge of the saddle points of system. This has little computati onal overload and is applicable to real systems. Speedups of one to five or ders of magnitude are found in the diffusion of a small cluster on a surfac e. [S0163-1829(99)08901-8].