Journal Article

PreJuSER-59929

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Optimizing Replica Exchange Moves for Molecular Dynamics

Nadler, W.FZJ* ; Hansmann, U. H. E.FZJ*

2007
APS College Park, Md.

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Please use a persistent id in citations: http://hdl.handle.net/2128/9232  doi:10.1103/PhysRevE.76.057102

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.

Keyword(s): J

Note: Record converted from VDB: 12.11.2012

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Contributing Institute(s):

1. John von Neumann - Institut für Computing (NIC)

Research Program(s):

1. Scientific Computing (P41)

Appears in the scientific report 2007

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Database coverage:
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