Hyper molecular dynamics with a local bias potential
- 1 January 1999
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 59 (1) , 54-57
- https://doi.org/10.1103/physrevb.59.54
Abstract
We propose a local bias potential for the hyper molecular dynamics requiring no preknowledge of the saddle points of system. This has little computational overload and is applicable to real systems. Speedups of one to five orders of magnitude are found in the diffusion of a small cluster on a surface.Keywords
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