Method for enhanced sampling in the simulations of dynamical systems

Authors
Svishchev, IM Kusalik, PG
Citation
Im. Svishchev et Pg. Kusalik, Method for enhanced sampling in the simulations of dynamical systems, PHYS REV E, 59(3), 1999, pp. 3753-3755
Citations number
15
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW E
ISSN journal
1063651X → ACNP
Volume
59
Issue
3
Year of publication
1999
Part
B
Pages
3753 - 3755
Database
ISI
SICI code
1063-651X(199903)59:3<3753:MFESIT>2.0.ZU;2-3
Abstract
An algorithm for enhanced configurational sampling in molecular dynamics si mulations based on stochastic scaling of the intermolecular potential is de scribed. It is implemented in simulations of homogeneous nucleation of a su percooled molecular liquid, carbon dioxide, resulting in significant saving s of computer time. This method preserves a canonical form for the potentia l energy distribution and does not alter average dynamical properties for e quilibrium systems. [S1063-651X(99)06603-9].