Optimizing replica exchange moves for molecular dynamics
Document Type
Article
Publication Date
11-15-2007
Abstract
We sketch the statistical physics framework of the replica exchange technique when applied to molecular dynamics simulations. In particular, we draw attention to generalized move sets that allow a variety of optimizations as well as new applications of the method. © 2007 The American Physical Society.
Publication Title
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
Recommended Citation
Nadler, W.,
&
Hansmann, U.
(2007).
Optimizing replica exchange moves for molecular dynamics.
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics,
76(5).
http://doi.org/10.1103/PhysRevE.76.057102
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/10077