Centroid molecular dynamics: A quantum dynamics method suitable for the parallel computer

Authors
Pavese, M Jang, S Voth, GA
Citation
M. Pavese et al., Centroid molecular dynamics: A quantum dynamics method suitable for the parallel computer, PARALLEL C, 26(7-8), 2000, pp. 1025-1041
Citations number
29
Categorie Soggetti
Computer Science & Engineering
Journal title
PARALLEL COMPUTING
ISSN journal
01678191 → ACNP
Volume
26
Issue
7-8
Year of publication
2000
Pages
1025 - 1041
Database
ISI
SICI code
0167-8191(200007)26:7-8<1025:CMDAQD>2.0.ZU;2-X
Abstract
The numerical implementation of the centroid molecular dynamics (CMD) quant um simulation method for condensed matter systems is described in detail. S pecific attention is given to various algorithms for CMD integration, as we ll as to its implementation on parallel computer architectures. Representat ive applications are also described. (C) 2000 Elsevier Science B.V. All rig hts reserved.