2007/08/31 by Walter Nadler, Ulrich H. E. Hansmann
Biochemistry, Genetics and Molecular Biology · Mathematics · Physics and Astronomy · #Algorithm #Artificial intelligence #Computer science #Dynamics (music) #Geography #Molecular dynamics #Physics #Protein Structure and Dynamics #Quantum mechanics #Replica #Sketch #Statistical physics #Stochastic processes and statistical mechanics #Theoretical and Computational Physics #Theoretical computer science #Variety (cybernetics) #cond-mat.stat-mech #physics.comp-ph #q-bio.BM #q-bio.QM
paper · pdf · doi:10.1103/physreve.76.057102
4 pages, 3 figures; revised version (1 figure added), PRE in press
arxiv created 2007/10/16 · openalex publication_date 2007/11/15 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
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.