Subject: CCL:Dynamics of rare events

From: Scott Brozell <[email-masked]>
Date: Tue, 22 Apr 1997 18:52:59 -0400 (EDT)

Hi,

"A method for accelerating the molecular dynamics simulation of
infrequent events."
Arthur F. Voter,
J. Chem. Phys. 106, 4665-4677 (1997).

scott brozell

> I recently heard about the 'dynamics of rare events' where, given a 
> knowledge of the position of a transition state, one could model a 
> transition using dynamics.  This would be especially related to high 
> energy barriers, where conventional dynamics would take an unbelievable 
> long time to 'get round' to crossing the barrier.
> 
> Does anyone know some references for this work?  Has anyone had any 
> success with it?
> 
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> |Alexander J Turner         [email-masked]                  |
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> |School of Chemistry        |+144 1225 8262826 ext 5137             |
> |University of Bath         |                                       |
> |Bath, Avon, U.K.           |Field: QM/MM modeling                  |
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