Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 123, Issue 9, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.1997150
Keywords
-
Ask authors/readers for more resources
Coarse-grained models that preserve atomistic detail display faster dynamics than atomistic systems alone. We show that this indirect speed up is robust: coarse-grained dynamic observables computed with time scaled by a constant factor are in excellent agreement with their underlying atomistic counterparts. Borrowing from accelerated dynamics methods used in the field of rare events, we predict the scaling factor within 7%, based on reduced intermolecular attraction yielding faster neighbor cage escapes. (C) 2005 American Institute of Physics.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available