Local bias potential in hyper molecular dynamics method
نویسندگان
چکیده
منابع مشابه
Local bias potential in hyper molecular dynamics method
The hyper molecular dynamics method (Hyper-MD) with a local bias potential can be used in massive simulations on infrequent events with a very small computation overhead. In this paper, we demonstrate the validity of the local bias potential in simulation of various systems, and study how the results depend on the locality of the bias potential. For an adatom diffusion on surface or interstitia...
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ژورنال
عنوان ژورنال: Computational Materials Science
سال: 2003
ISSN: 0927-0256
DOI: 10.1016/s0927-0256(03)00042-9