This title appears in the Scientific Report :
2007
Please use the identifier:
http://dx.doi.org/10.1103/PhysRevE.76.057102 in citations.
Please use the identifier: http://hdl.handle.net/2128/9232 in citations.
Optimizing Replica Exchange Moves for Molecular Dynamics
Optimizing Replica Exchange Moves for Molecular Dynamics
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.
Saved in:
Personal Name(s): | Nadler, W. |
---|---|
Hansmann, U. H. E. | |
Contributing Institute: |
John von Neumann - Institut für Computing; NIC |
Published in: | Physical Review E Physical review / E, 76 76 (2007 2007) 5 5, S. 057102 057102 |
Imprint: |
College Park, Md.
APS
2007
2007-11-15 2007-11-01 |
Physical Description: |
057102 |
DOI: |
10.1103/PhysRevE.76.057102 |
Document Type: |
Journal Article |
Research Program: |
Scientific Computing |
Series Title: |
Physical Review E
76 |
Subject (ZB): | |
Link: |
Get full text OpenAccess OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/9232 in citations.
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. |